 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104097/Gau-12058.inp" -scrdir="/scratch/9104097/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     12062.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer04_B3LYP_def2SVPD
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer04_B3LYP_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:48:38 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H(Iso=2)              0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H                     1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           2           1           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   2.0141018   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           2           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.8574380   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           1           2           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           2           1           1           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:48:38 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9971626           3.8577348           3.6118818
 Leave Link  202 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   206 symmetry adapted cartesian basis functions of A   symmetry.
 There are   196 symmetry adapted basis functions of A   symmetry.
   196 basis functions,   280 primitive gaussians,   206 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0222213832 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5720799793 Hartrees.
 Leave Link  301 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               5.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   196 RedAO= T EigKep=  1.86D-05  NBF=   196
 NBsUse=   196 1.00D-06 EigRej= -1.00D+00 NBFU=   196
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   206   206   206   206   206 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer04_B3LYP_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368620381 LenY=  5368577504
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.662137906504    
 DIIS: error= 6.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.662137906504     IErMin= 1 ErrMin= 6.46D-03
 ErrMax= 6.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-03 BMatP= 3.59D-03
 IDIUse=3 WtCom= 9.35D-01 WtEn= 6.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 GapD=    0.347 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.89D-03 MaxDP=6.62D-01              OVMax= 1.12D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.87D-03    CP:  1.17D+00
 E= -197.665276418148     Delta-E=       -0.003138511645 Rises=F Damp=F
 DIIS: error= 4.21D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.665276418148     IErMin= 2 ErrMin= 4.21D-04
 ErrMax= 4.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-05 BMatP= 3.59D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.21D-03
 Coeff-Com:  0.204D-02 0.998D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.203D-02 0.998D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=4.33D-04 MaxDP=4.96D-02 DE=-3.14D-03 OVMax= 2.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.77D-04    CP:  1.18D+00  1.04D+00
 E= -197.665272399091     Delta-E=        0.000004019057 Rises=F Damp=F
 DIIS: error= 5.53D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -197.665276418148     IErMin= 2 ErrMin= 4.21D-04
 ErrMax= 5.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-05 BMatP= 2.79D-05
 IDIUse=3 WtCom= 2.98D-01 WtEn= 7.02D-01
 Coeff-Com: -0.703D-02 0.543D+00 0.464D+00
 Coeff-En:   0.000D+00 0.528D+00 0.472D+00
 Coeff:     -0.210D-02 0.533D+00 0.469D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=9.58D-05 MaxDP=1.01D-02 DE= 4.02D-06 OVMax= 1.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.43D-05    CP:  1.18D+00  1.03D+00  6.91D-01
 E= -197.665312238907     Delta-E=       -0.000039839817 Rises=F Damp=F
 DIIS: error= 5.48D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.665312238907     IErMin= 4 ErrMin= 5.48D-05
 ErrMax= 5.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.95D-07 BMatP= 2.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-02 0.543D-01 0.109D+00 0.839D+00
 Coeff:     -0.216D-02 0.543D-01 0.109D+00 0.839D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=9.46D-04 DE=-3.98D-05 OVMax= 2.12D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.15D-06    CP:  1.18D+00  1.04D+00  7.12D-01  9.07D-01
 E= -197.665312536480     Delta-E=       -0.000000297572 Rises=F Damp=F
 DIIS: error= 3.33D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.665312536480     IErMin= 5 ErrMin= 3.33D-05
 ErrMax= 3.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-07 BMatP= 3.95D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.821D-03-0.811D-03 0.314D-01 0.466D+00 0.504D+00
 Coeff:     -0.821D-03-0.811D-03 0.314D-01 0.466D+00 0.504D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=5.15D-06 MaxDP=5.73D-04 DE=-2.98D-07 OVMax= 8.13D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  1.18D+00  1.04D+00  7.14D-01  9.42D-01  6.54D-01
 E= -197.665312673780     Delta-E=       -0.000000137300 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.665312673780     IErMin= 6 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-10 BMatP= 1.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-04-0.119D-02-0.189D-02 0.221D-01 0.574D-01 0.924D+00
 Coeff:     -0.356D-04-0.119D-02-0.189D-02 0.221D-01 0.574D-01 0.924D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.96D-07 MaxDP=2.69D-05 DE=-1.37D-07 OVMax= 3.76D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.51D-07    CP:  1.18D+00  1.04D+00  7.13D-01  9.46D-01  6.78D-01
                    CP:  1.06D+00
 E= -197.665312674249     Delta-E=       -0.000000000469 Rises=F Damp=F
 DIIS: error= 1.83D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.665312674249     IErMin= 7 ErrMin= 1.83D-07
 ErrMax= 1.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-12 BMatP= 4.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-05-0.208D-03-0.674D-03-0.104D-02 0.662D-02 0.175D+00
 Coeff-Com:  0.821D+00
 Coeff:      0.195D-05-0.208D-03-0.674D-03-0.104D-02 0.662D-02 0.175D+00
 Coeff:      0.821D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.87D-08 MaxDP=8.84D-06 DE=-4.69D-10 OVMax= 3.49D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.70D-08    CP:  1.18D+00  1.04D+00  7.13D-01  9.45D-01  6.78D-01
                    CP:  1.04D+00  8.77D-01
 E= -197.665312674252     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.78D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.665312674252     IErMin= 8 ErrMin= 1.78D-08
 ErrMax= 1.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-14 BMatP= 3.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.812D-06-0.527D-05-0.301D-04-0.522D-03-0.134D-03 0.495D-02
 Coeff-Com:  0.102D+00 0.893D+00
 Coeff:      0.812D-06-0.527D-05-0.301D-04-0.522D-03-0.134D-03 0.495D-02
 Coeff:      0.102D+00 0.893D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.34D-09 MaxDP=2.17D-07 DE=-3.41D-12 OVMax= 6.43D-08

 SCF Done:  E(RB3LYP) =  -197.665312674     A.U. after    8 cycles
            NFock=  8  Conv=0.43D-08     -V/T= 2.0132
 KE= 1.950982081673D+02 PE=-8.522127658160D+02 EE= 2.608771649952D+02
 Leave Link  502 at Thu Jan 27 11:49:01 2022, MaxMem=  5368709120 cpu:             165.5 elap:              20.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   196
 NBasis=   196 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    196 NOA=    21 NOB=    21 NVA=   175 NVB=   175

 **** Warning!!: The largest alpha MO coefficient is  0.11565385D+03

 Leave Link  801 at Thu Jan 27 11:49:01 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5144 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.12D-14 8.33D-09 XBig12= 1.00D+00 2.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.12D-14 8.33D-09 XBig12= 9.61D-02 8.25D-02.
     11 vectors produced by pass  2 Test12= 6.12D-14 8.33D-09 XBig12= 1.58D-02 1.94D-02.
     11 vectors produced by pass  3 Test12= 6.12D-14 8.33D-09 XBig12= 1.01D-03 7.43D-03.
     11 vectors produced by pass  4 Test12= 6.12D-14 8.33D-09 XBig12= 1.14D-05 1.15D-03.
     11 vectors produced by pass  5 Test12= 6.12D-14 8.33D-09 XBig12= 1.02D-07 6.79D-05.
     11 vectors produced by pass  6 Test12= 6.12D-14 8.33D-09 XBig12= 4.30D-10 3.46D-06.
     10 vectors produced by pass  7 Test12= 6.12D-14 8.33D-09 XBig12= 8.20D-13 2.16D-07.
      3 vectors produced by pass  8 Test12= 6.12D-14 8.33D-09 XBig12= 2.06D-15 1.00D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension    90 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.660165D+02
      2  0.723682D-04  0.660159D+02
      3  0.346372D-03 -0.260924D-03  0.660163D+02
 Isotropic polarizability for W=    0.085645       66.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.409100D+00  0.179777D-01  0.146429D+01
      2   0.183079D+01 -0.113739D+01 -0.542391D+00
      3  -0.142169D+01  0.111941D+01 -0.921902D+00
      4   0.164374D-01  0.183092D+01  0.195637D+01
      5   0.146483D+01  0.195640D+01 -0.141976D+01
      6   0.195680D+01 -0.541437D+00  0.111684D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.614238D-03  0.229431D-02 -0.242309D-03
      2  -0.262497D-02  0.167937D-03 -0.961557D-04
      3  -0.825376D-03  0.844624D-03  0.199790D-03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.275305D-04  0.954415D-03  0.257705D-02
      2  -0.533130D-03 -0.426835D-03  0.192632D-02
      3  -0.154030D-02 -0.130615D-03  0.399304D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.190746D-03  0.135326D-03  0.396514D-03
      2   0.135326D-03 -0.313933D-03  0.373456D-04
      3   0.396514D-03  0.373456D-04 -0.123324D-03
 OR G Eigenvalues:    -0.0004    -0.0003     0.0005  Iso=     0.0001
 Eigenvectors:
   (1)  -0.552296   0.475807   0.684527
   (2)   0.147382   0.863917  -0.481587
   (3)   0.820517   0.165092   0.547263
 w=    0.085645 a.u., Optical Rotation Beta=      0.0001 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   19306 ScalPx= 1.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.01D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.02D-14 2.78D-09 XBig12= 1.00D+00 5.14D-01.
     30 vectors produced by pass  1 Test12= 1.02D-14 2.78D-09 XBig12= 1.46D-02 3.81D-02.
     30 vectors produced by pass  2 Test12= 1.02D-14 2.78D-09 XBig12= 1.37D-03 7.19D-03.
     30 vectors produced by pass  3 Test12= 1.02D-14 2.78D-09 XBig12= 2.65D-05 1.43D-03.
     30 vectors produced by pass  4 Test12= 1.02D-14 2.78D-09 XBig12= 3.91D-07 1.17D-04.
     30 vectors produced by pass  5 Test12= 1.02D-14 2.78D-09 XBig12= 5.08D-10 5.05D-06.
     13 vectors produced by pass  6 Test12= 1.02D-14 2.78D-09 XBig12= 1.18D-12 1.66D-07.
      1 vectors produced by pass  7 Test12= 1.02D-14 2.78D-09 XBig12= 1.41D-15 8.18D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   194 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 5.12D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 5.12D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.65D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.723682D-04  0.346372D-03
      2   0.723682D-04  0.660159D+02 -0.260924D-03
      3   0.346372D-03 -0.260924D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.614238D-03  0.229431D-02 -0.242309D-03
      2  -0.262497D-02  0.167937D-03 -0.961557D-04
      3  -0.825376D-03  0.844624D-03  0.199790D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.409100D+00  0.179777D-01  0.146429D+01
      2   0.183079D+01 -0.113739D+01 -0.542391D+00
      3  -0.142169D+01  0.111941D+01 -0.921902D+00
      4   0.164374D-01  0.183092D+01  0.195637D+01
      5   0.146483D+01  0.195640D+01 -0.141976D+01
      6   0.195680D+01 -0.541437D+00  0.111684D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.107913D+01  0.644606D-01  0.391326D+01  0.629463D-01  0.488316D+01
      2   0.644606D-01  0.488173D+01  0.523517D+01  0.488316D+01 -0.303841D+01
      3   0.391326D+01  0.523517D+01 -0.379675D+01  0.522610D+01 -0.145797D+01
                 6             7             8             9            10 
      1   0.522610D+01  0.390845D+01  0.522892D+01 -0.379310D+01 -0.891704D+00
      2  -0.145797D+01  0.522892D+01 -0.145728D+01  0.297787D+01 -0.812247D-01
      3   0.297890D+01 -0.379310D+01  0.297787D+01 -0.244659D+01 -0.270880D+01
                11            12            13            14            15 
      1  -0.812247D-01 -0.270880D+01  0.194514D+00 -0.470696D+01 -0.403101D+01
      2  -0.369413D+01 -0.403338D+01 -0.470696D+01  0.142302D+01  0.202243D+01
      3  -0.403338D+01  0.324538D+01 -0.403101D+01  0.202243D+01 -0.200797D+01
                16            17            18            19            20 
      1  -0.353490D+01 -0.403127D+01  0.223429D+01  0.246412D+01  0.319037D+00
      2  -0.403127D+01  0.119302D+01 -0.228866D+01  0.319037D+00 -0.394293D+01
      3   0.223429D+01 -0.228866D+01  0.343979D+01 -0.255492D+01 -0.424696D+01
                21            22            23            24            25 
      1  -0.255492D+01 -0.497456D+00 -0.308018D+01 -0.424458D+01 -0.315891D+01
      2  -0.424696D+01 -0.308018D+01  0.386328D+01  0.136301D+01 -0.424518D+01
      3   0.260649D+01 -0.424458D+01  0.136301D+01 -0.227196D+01  0.346797D+01
                26            27            28            29            30 
      1  -0.424518D+01  0.346797D+01  0.224935D+01 -0.970075D+00 -0.309787D+01
      2   0.751574D+00 -0.145166D+01 -0.970075D+00 -0.424584D+01 -0.403838D+01
      3  -0.145166D+01  0.321056D+01 -0.309787D+01 -0.403838D+01  0.281850D+01
                31            32            33            34            35 
      1   0.161096D+00 -0.361881D+01 -0.403954D+01 -0.276123D+01 -0.403914D+01
      2  -0.361881D+01  0.640902D+00  0.109888D+01 -0.403914D+01  0.143893D+01
      3  -0.403954D+01  0.109888D+01 -0.229569D+01  0.345061D+01 -0.342955D+01
                36            37            38            39            40 
      1   0.345061D+01 -0.426503D+00  0.554554D+00 -0.392393D+01 -0.360578D-01
      2  -0.342955D+01  0.554554D+00 -0.345476D+01 -0.412074D+01 -0.393923D+01
      3   0.865957D+00 -0.392393D+01 -0.412074D+01  0.325474D+01 -0.411792D+01
                41            42            43            44            45 
      1  -0.393923D+01 -0.411792D+01 -0.282617D+01 -0.411983D+01  0.276646D+01
      2   0.359894D+01  0.909304D-01 -0.411983D+01  0.119280D+01 -0.219264D+01
      3   0.909304D-01 -0.278892D+01  0.276646D+01 -0.219264D+01  0.174564D+00
                46            47            48            49            50 
      1  -0.726441D+00  0.460703D+00 -0.652725D+00  0.683955D+00  0.278529D+00
      2   0.460703D+00 -0.512313D+00  0.102359D+01  0.278529D+00  0.189379D+01
      3  -0.652725D+00  0.102359D+01 -0.220563D+01  0.356487D+00 -0.216643D+01
                51            52            53            54            55 
      1   0.356487D+00 -0.994331D+00  0.402455D+00 -0.340373D+00  0.328510D+01
      2  -0.216643D+01  0.402455D+00 -0.204715D+01  0.260710D+01 -0.187291D+01
      3   0.280920D+01 -0.340373D+00  0.260710D+01 -0.720885D+01 -0.106388D+01
                56            57            58            59            60 
      1  -0.187291D+01 -0.106388D+01 -0.326825D+01  0.287047D+01  0.180232D+01
      2   0.212254D+01  0.106994D+01  0.287047D+01 -0.452095D+01 -0.175940D+01
      3   0.106994D+01  0.845483D+00  0.180232D+01 -0.175940D+01 -0.190356D+01
                61            62            63            64            65 
      1  -0.696688D+00  0.998889D+00  0.968364D+00  0.509018D+01  0.247070D+01
      2   0.998889D+00 -0.112214D+01 -0.955653D+00  0.247070D+01  0.242246D+01
      3   0.968364D+00 -0.955653D+00 -0.176381D+01  0.870275D+00  0.734056D+00
                66            67            68            69            70 
      1   0.870275D+00  0.308336D+01  0.289770D+01  0.668899D+00  0.249618D+01
      2   0.734056D+00  0.289770D+01  0.314725D+01  0.379660D+00  0.142274D+01
      3   0.785242D+00  0.668899D+00  0.379660D+00  0.118829D+01  0.808188D+00
                71            72            73            74            75 
      1   0.142274D+01  0.808188D+00 -0.235007D+01  0.327662D+00 -0.169762D+01
      2   0.127769D+01  0.100204D+01  0.327662D+00 -0.241984D+00  0.666420D+00
      3   0.100204D+01  0.926270D+00 -0.169762D+01  0.666420D+00 -0.224196D+01
                76            77            78            79            80 
      1   0.134610D+01 -0.344154D+00  0.139410D+01 -0.215232D+01  0.591587D+00
      2  -0.344154D+00  0.844108D+00 -0.122080D+01  0.591587D+00 -0.140194D+01
      3   0.139410D+01 -0.122080D+01  0.236572D+01 -0.297575D+01  0.903183D+00
                81            82            83            84            85 
      1  -0.297575D+01 -0.625664D+01 -0.196845D+01  0.194755D+01 -0.121529D+01
      2   0.903183D+00 -0.196845D+01 -0.135256D+01  0.862172D+00 -0.112326D+01
      3  -0.653695D+01  0.194755D+01  0.862172D+00 -0.187263D+01  0.804894D+00
                86            87            88            89            90 
      1  -0.112326D+01  0.804894D+00  0.354581D+01  0.155911D+01 -0.208394D+01
      2  -0.157529D+01  0.496566D+00  0.155911D+01  0.136835D+01 -0.620973D+00
      3   0.496566D+00 -0.296461D+00 -0.208394D+01 -0.620973D+00  0.190243D+01
                91            92            93            94            95 
      1   0.105646D+01 -0.123920D+01 -0.222068D+00 -0.137676D+01  0.116359D+01
      2  -0.123920D+01  0.300716D+01  0.122202D+01  0.116359D+01 -0.757723D+01
      3  -0.222068D+00  0.122202D+01  0.788412D+00  0.554222D+00 -0.222606D+01
                96            97            98            99           100 
      1   0.554222D+00 -0.154414D+00  0.600883D+00  0.170579D-01 -0.207570D+01
      2  -0.222606D+01  0.600883D+00 -0.170105D+01 -0.141577D+01  0.146619D+01
      3  -0.156519D+01  0.170579D-01 -0.141577D+01 -0.155948D+01 -0.101164D+01
               101           102           103           104           105 
      1   0.146619D+01 -0.101164D+01  0.109890D+01 -0.105745D+01  0.108775D+01
      2  -0.108009D+01  0.114806D+01 -0.105745D+01  0.310483D+01 -0.182707D+01
      3   0.114806D+01 -0.151151D+01  0.108775D+01 -0.182707D+01  0.181415D+01
               106           107           108           109           110 
      1  -0.184791D+01  0.184478D+01 -0.193262D+01  0.210602D+01  0.178322D+01
      2   0.184478D+01 -0.339571D+01  0.260481D+01  0.178322D+01  0.361595D+01
      3  -0.193262D+01  0.260481D+01 -0.413701D+01  0.130572D+01  0.166457D+01
               111           112           113           114           115 
      1   0.130572D+01  0.140405D+01  0.180009D+01  0.999949D+00  0.125282D+01
      2   0.166457D+01  0.180009D+01  0.489913D+01  0.184297D+01  0.104474D+01
      3   0.134896D+01  0.999949D+00  0.184297D+01  0.174600D+01  0.609196D+00
               116           117           118           119           120 
      1   0.104474D+01  0.609196D+00 -0.561312D+01  0.633151D+00  0.303792D+01
      2   0.223982D+01  0.215227D+01  0.633151D+00 -0.912310D+00  0.127454D-01
      3   0.215227D+01  0.208776D+01  0.303792D+01  0.127454D-01 -0.277302D+01
               121           122           123           124           125 
      1  -0.870226D+00 -0.368744D+00  0.739110D+00  0.325386D+01 -0.609890D-01
      2  -0.368744D+00 -0.335159D+00  0.446439D+00 -0.609890D-01  0.938825D+00
      3   0.739110D+00  0.446439D+00 -0.418581D+00 -0.286747D+01  0.640907D+00
               126           127           128           129           130 
      1  -0.286747D+01  0.246733D+01 -0.221618D+01  0.496711D+00 -0.236029D+01
      2   0.640907D+00 -0.221618D+01  0.289986D+01  0.146849D+00  0.306899D+01
      3   0.334225D+01  0.496711D+00  0.146849D+00  0.485012D+00  0.830016D-01
               131           132           133           134           135 
      1   0.306899D+01  0.830016D-01 -0.438278D+00  0.839898D+00  0.203132D+00
      2  -0.684206D+01  0.395682D+00  0.839898D+00 -0.126710D+01 -0.571252D+00
      3   0.395682D+00 -0.114942D+01  0.203132D+00 -0.571252D+00 -0.450337D+00
               136           137           138           139           140 
      1  -0.321181D+01 -0.977499D+00  0.266541D+01 -0.644355D+00 -0.473364D+00
      2  -0.977499D+00 -0.119486D+01  0.154329D+01 -0.473364D+00 -0.137786D+01
      3   0.266541D+01  0.154329D+01 -0.407637D+01  0.874048D+00  0.120688D+01
               141           142           143           144           145 
      1   0.874048D+00  0.208464D+01  0.919458D+00 -0.227782D+01  0.391257D+01
      2   0.120688D+01  0.919458D+00  0.107273D+01 -0.120085D+01  0.124586D+01
      3  -0.881288D+00 -0.227782D+01 -0.120085D+01  0.493544D+01  0.269660D+01
               146           147           148           149           150 
      1   0.124586D+01  0.269660D+01  0.223376D+01  0.174962D+01  0.184217D+01
      2   0.168207D+01  0.111057D+01  0.174962D+01  0.185172D+01  0.131426D+01
      3   0.111057D+01  0.229967D+01  0.184217D+01  0.131426D+01  0.267677D+01
               151           152           153 
      1   0.202341D+01  0.104295D+01  0.174581D+01
      2   0.104295D+01  0.918618D+00  0.123883D+01
      3   0.174581D+01  0.123883D+01  0.321802D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114656D-01  0.494625D-03  0.463333D-02  0.735341D-03 -0.152995D-01
      2   0.888904D-02  0.127591D-01  0.490748D+01  0.137896D-01  0.386834D-02
      3  -0.223003D-01 -0.490451D+01 -0.470642D-02  0.490961D+01 -0.215999D-01
                 6             7             8             9            10 
      1  -0.490585D+01  0.178573D-01  0.490495D+01 -0.746029D-02  0.114615D+01
      2   0.733930D-02 -0.490465D+01 -0.722775D-02  0.546899D-02 -0.677214D+01
      3  -0.388120D-02  0.440725D-02 -0.472895D-02 -0.123411D-01 -0.907318D+00
                11            12            13            14            15 
      1   0.654382D+01  0.359867D+01  0.817479D+01 -0.184367D+01 -0.425369D+01
      2  -0.603538D+01  0.327550D+01 -0.558765D+01 -0.256667D+01 -0.764683D+01
      3   0.412402D+01  0.488878D+01  0.981883D+01 -0.311619D+01 -0.560537D+01
                16            17            18            19            20 
      1   0.415479D+01  0.794756D+00  0.716734D+00 -0.315433D+01 -0.197462D+01
      2  -0.359156D+01 -0.819654D+01  0.932300D+01  0.632729D+01  0.602738D+01
      3   0.443664D+01 -0.398177D+01  0.404116D+01 -0.408506D+01 -0.712488D+01
                21            22            23            24            25 
      1   0.713542D+01 -0.299170D+01 -0.288307D+01 -0.541597D+01  0.850776D+01
      2  -0.356887D+01  0.505941D+01 -0.418780D+01 -0.150183D+01 -0.928116D+01
      3  -0.287119D+01 -0.820215D+00  0.974221D+01  0.718058D+01 -0.190203D+01
                26            27            28            29            30 
      1   0.169920D+00  0.602902D+01  0.436730D+01  0.448773D+01 -0.691298D+01
      2  -0.287590D+01 -0.215584D+01  0.112054D+01  0.450015D+01  0.607784D+00
      3   0.616651D+01 -0.563216D+01  0.435581D+01 -0.848489D+01 -0.886681D+01
                31            32            33            34            35 
      1   0.490151D+01 -0.232096D+01  0.329464D+01 -0.829176D+01  0.955896D+01
      2   0.375571D+01  0.741160D+00  0.451034D+01 -0.394639D+01  0.588774D+01
      3  -0.167587D+01 -0.676524D+01 -0.564507D+01 -0.812348D+01 -0.522949D+01
                36            37            38            39            40 
      1  -0.202799D+01 -0.234351D+01 -0.904803D+01 -0.384058D+01 -0.100745D+02
      2  -0.184657D+01 -0.686919D+00 -0.451041D+01  0.114269D+02 -0.325045D+01
      3   0.240536D+01  0.654338D+00 -0.260708D+00  0.685538D+01  0.442821D+01
                41            42            43            44            45 
      1   0.706304D+01 -0.537319D+01 -0.439714D+01  0.121308D+01 -0.472247D+01
      2   0.600980D+01  0.465062D+01  0.507637D+01  0.520303D+01 -0.533402D+01
      3   0.148219D+00  0.406104D+01  0.560146D+01  0.304319D+01 -0.804828D+00
                46            47            48            49            50 
      1  -0.299363D+00  0.888660D+00  0.905123D-01 -0.370761D+00 -0.215146D+01
      2  -0.272841D+01  0.173807D+01 -0.234248D+01  0.268618D+01 -0.245776D+01
      3  -0.140423D+01 -0.512702D-01 -0.144157D+01  0.141747D+01 -0.201308D+01
                51            52            53            54            55 
      1  -0.683155D-01 -0.407380D+00  0.397279D+01  0.669562D+00  0.248343D+01
      2   0.435209D+01 -0.501489D+01  0.423117D+01 -0.976094D+01  0.244583D+01
      3   0.280380D+01 -0.223789D+01  0.281490D+01 -0.383674D+01  0.271110D+01
                56            57            58            59            60 
      1  -0.370398D+01 -0.750563D+00 -0.349680D+01  0.678307D+01  0.751715D-01
      2  -0.569164D+00  0.157573D+01 -0.194150D+01  0.894707D+00 -0.184130D+01
      3  -0.557824D+01 -0.189801D+01 -0.244317D+01  0.885933D+01  0.260530D+01
                61            62            63            64            65 
      1  -0.152959D+01  0.278861D+01  0.998944D+00 -0.317040D+01 -0.285889D+01
      2  -0.760999D+00  0.420198D-01 -0.156008D+01  0.617656D+01  0.405963D+01
      3  -0.139663D+01  0.266149D+01  0.151114D+01 -0.498132D+00 -0.460271D+01
                66            67            68            69            70 
      1  -0.245886D+01 -0.323865D+01 -0.304313D+01 -0.294702D+01 -0.167302D+01
      2   0.457231D+01  0.409069D+01  0.378159D+01  0.411241D+01  0.227190D+01
      3  -0.902905D+00 -0.869213D+00 -0.416164D+01 -0.520485D+00 -0.211127D+00
                71            72            73            74            75 
      1  -0.798599D+00 -0.226399D+01 -0.203343D+01  0.196788D+01 -0.321622D+01
      2   0.282843D+01  0.320526D+01 -0.740488D+00 -0.629200D+00  0.274723D+01
      3  -0.202147D+01 -0.116594D+01  0.240527D+01 -0.200687D+01  0.264134D+01
                76            77            78            79            80 
      1   0.143439D+01 -0.312302D+01  0.244927D+01 -0.359335D+01  0.537443D+01
      2   0.513435D+00  0.124529D+01 -0.206524D+01 -0.974907D+00 -0.931079D+00
      3  -0.479455D+00  0.200136D+01 -0.266919D+01  0.255952D+01 -0.375818D+01
                81            82            83            84            85 
      1  -0.737584D+01  0.390382D+01  0.117776D+01 -0.390225D+01  0.175589D+01
      2   0.600157D+01 -0.640833D+01 -0.246019D+01  0.681680D+01 -0.202980D+01
      3   0.453941D+01  0.509608D+01 -0.187707D+01 -0.142979D+01  0.136859D+01
                86            87            88            89            90 
      1   0.128719D+01 -0.173394D+01 -0.326781D+01 -0.879842D-02  0.327400D+01
      2  -0.132290D+01  0.167023D+01  0.360402D+01  0.152979D+01 -0.544239D+01
      3  -0.102086D+01 -0.455219D+00 -0.257946D+01  0.124235D+01  0.174683D+01
                91            92            93            94            95 
      1   0.860132D+00 -0.142862D+01  0.933834D+00 -0.579198D+00  0.435334D+01
      2   0.164055D+01 -0.215085D+01  0.164949D+00 -0.287516D+01  0.370327D+01
      3  -0.391889D+01  0.342914D+01  0.129767D+01  0.644612D+01 -0.944965D+01
                96            97            98            99           100 
      1  -0.266554D+01 -0.532817D+00  0.111339D+01 -0.114500D+01  0.201305D+01
      2   0.170361D+01 -0.121740D+01  0.191871D+01  0.133911D+01  0.917029D+00
      3  -0.311292D+01  0.167189D+01 -0.283158D+01 -0.140951D+01 -0.224106D+01
               101           102           103           104           105 
      1  -0.177130D+01  0.385728D+01 -0.230777D+01  0.320660D+01 -0.555183D+01
      2  -0.155265D+01  0.306606D+01 -0.777754D+00  0.203685D+01 -0.290235D+01
      3  -0.113013D+00 -0.435693D+00  0.235935D+01  0.135827D+01  0.284787D+00
               106           107           108           109           110 
      1   0.347917D+01 -0.272216D+01  0.909691D+01 -0.129806D+01 -0.670740D-01
      2   0.185413D+00 -0.266634D+01  0.550551D+01 -0.297396D+01 -0.199868D+01
      3  -0.242655D+01 -0.967868D+00 -0.814256D+00  0.624224D+01  0.360960D+01
               111           112           113           114           115 
      1  -0.246859D+01 -0.913618D+00  0.728581D-01 -0.391098D+01 -0.515704D+00
      2  -0.256359D+00 -0.255710D+01 -0.244473D+01 -0.135196D+01 -0.255859D+01
      3   0.328973D+01  0.623898D+01  0.594298D+01  0.334830D+01  0.418947D+01
               116           117           118           119           120 
      1  -0.663937D+00 -0.282739D+01 -0.448889D+01 -0.204329D+01  0.460032D+01
      2  -0.204652D+01 -0.126082D+01  0.110525D+01 -0.361190D+00  0.330820D+01
      3   0.307537D+01  0.258690D+01 -0.780936D+01 -0.275410D+01  0.483217D+01
               121           122           123           124           125 
      1  -0.102858D+01 -0.124943D+01 -0.453355D-01  0.423662D+01  0.171223D+01
      2   0.844420D-01 -0.239525D+00  0.335602D+00 -0.852613D+00 -0.408414D+00
      3  -0.500086D+00 -0.139633D+01  0.126490D+01  0.526600D+01  0.242760D+01
               126           127           128           129           130 
      1  -0.453025D+01 -0.275331D+01  0.480272D+01  0.200106D+01  0.468581D+01
      2  -0.265433D+01 -0.293677D+01  0.323506D+01  0.127522D+01  0.364416D+01
      3  -0.384984D+01 -0.150971D+01 -0.162837D+01 -0.504718D+00  0.251872D+01
               131           132           133           134           135 
      1  -0.965928D+01 -0.378583D+01  0.112212D+01 -0.121162D+01 -0.191371D+01
      2  -0.449750D+01 -0.238031D+01 -0.177994D+00 -0.134796D+01 -0.102628D+01
      3   0.298012D+01 -0.203857D+00  0.301018D+00  0.399404D+00  0.230304D+00
               136           137           138           139           140 
      1   0.742305D+00 -0.193845D+01 -0.145611D+01  0.162243D+00 -0.138046D+01
      2   0.829196D+01  0.206098D+01 -0.415546D+01  0.221697D+01  0.120946D+01
      3   0.392603D+01 -0.494320D+00 -0.280003D+01  0.176938D+01  0.675011D+00
               141           142           143           144           145 
      1  -0.189375D+00 -0.473171D+00  0.264618D+01  0.244417D+01  0.403658D+01
      2  -0.180567D+01 -0.723109D+01 -0.217303D+01  0.545183D+01 -0.478623D+01
      3  -0.134655D+01 -0.311366D+01 -0.518358D+00  0.265683D+01 -0.299413D+01
               146           147           148           149           150 
      1   0.496521D+01  0.278443D+01  0.388556D+01  0.490367D+01  0.202081D+01
      2  -0.136633D+01 -0.414013D+00 -0.304536D+01 -0.190912D+01  0.153229D+00
      3  -0.428889D+01 -0.264928D+01 -0.147754D+01 -0.376378D+01 -0.198584D+01
               151           152           153 
      1   0.316272D+01  0.416291D+01  0.358437D+01
      2  -0.363519D+01 -0.986993D+00  0.209176D+00
      3  -0.203958D+01 -0.251738D+01 -0.219232D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.529765D+01 -0.302676D+01  0.275589D+01 -0.302116D+01 -0.221449D+01
      2  -0.222128D+01  0.323551D+01 -0.128449D+01  0.323554D+01  0.255658D+01
      3  -0.307637D+01 -0.208749D+00 -0.147141D+01 -0.214377D+00 -0.342085D+00
      4  -0.303557D+01 -0.172982D+01 -0.863023D+00 -0.171944D+01  0.325330D+01
      5   0.273878D+01 -0.868131D+00 -0.259208D+01 -0.875815D+00 -0.127662D+01
      6  -0.868710D+00 -0.129608D+01 -0.212150D+00 -0.127964D+01 -0.374869D+01
                 6             7             8             9            10 
      1  -0.867761D+00  0.275057D+01 -0.855803D+00 -0.307941D+01 -0.605228D+01
      2  -0.373957D+01 -0.127753D+01 -0.373745D+01 -0.335076D+00 -0.350004D+01
      3   0.460733D+01 -0.147304D+01  0.459326D+01  0.341448D+01  0.955232D+01
      4  -0.127747D+01 -0.858346D+00 -0.129107D+01 -0.228731D+00 -0.151334D+01
      5  -0.212224D+00 -0.258229D+01 -0.216226D+00 -0.148325D+01 -0.563392D+01
      6   0.162768D+00 -0.225542D+00  0.151649D+00  0.460231D+01 -0.404946D+01
                11            12            13            14            15 
      1  -0.446236D+01 -0.190621D+01 -0.440305D+01 -0.827359D+01 -0.143157D+02
      2  -0.615129D+01  0.351335D+01 -0.536070D+01  0.502841D+01  0.176150D+01
      3   0.106136D+02 -0.160714D+01  0.976375D+01  0.324518D+01  0.125542D+02
      4  -0.127617D+02 -0.100578D+02 -0.140286D+02  0.246275D+01  0.185291D+01
      5  -0.867561D+01  0.588608D+01 -0.959869D+01  0.711842D+01  0.299158D+01
      6   0.412890D+01  0.873815D+01  0.495678D+01 -0.380452D+01 -0.742841D+01
                16            17            18            19            20 
      1  -0.294297D+01 -0.145591D+02  0.138910D+02 -0.914511D+01 -0.934702D+01
      2   0.296212D+01  0.226448D+01 -0.101923D+01  0.273864D+01  0.654418D+01
      3  -0.191545D-01  0.122947D+02 -0.128717D+02  0.640646D+01  0.280284D+01
      4  -0.112269D+02  0.493546D+00 -0.122316D+01 -0.423454D+01  0.139030D+01
      5   0.591853D+01  0.223706D+01 -0.645092D+00  0.509108D+01  0.714729D+01
      6   0.712858D+01 -0.720227D+01  0.809733D+01  0.642456D+01  0.109797D+02
                21            22            23            24            25 
      1   0.530806D+01 -0.880646D+01  0.141386D+02  0.929654D+01  0.641027D+01
      2   0.881164D+01  0.481087D+01 -0.146017D+02 -0.113924D+02  0.792051D+01
      3  -0.141197D+02  0.399559D+01  0.463052D+00  0.209581D+01 -0.143308D+02
      4   0.109649D+02  0.224076D+01  0.308040D+01  0.461384D+01  0.120189D+02
      5  -0.619767D+01  0.753342D+01  0.388070D+01  0.833757D+01 -0.747039D+01
      6   0.330212D+00  0.968266D+01 -0.776393D+01 -0.184291D+01  0.300032D-01
                26            27            28            29            30 
      1   0.996473D+01 -0.513479D+01 -0.347995D+01  0.743431D+01  0.111818D+02
      2  -0.110072D+02  0.117768D+02  0.496537D+01 -0.947198D+01 -0.170667D+02
      3   0.104248D+01 -0.664200D+01 -0.148543D+01  0.203767D+01  0.588488D+01
      4   0.502486D+01  0.451563D+00  0.261013D+01 -0.109441D+01 -0.229580D+01
      5   0.684747D+01 -0.948131D+01  0.680011D+01  0.298481D+01 -0.106633D+02
      6  -0.121722D+01  0.857457D+00 -0.563304D+01 -0.134886D+02  0.422355D+01
                31            32            33            34            35 
      1   0.683297D+01  0.554420D+01  0.589977D+01  0.115091D+02  0.497557D+01
      2  -0.836527D+01 -0.271545D+01 -0.373411D+00 -0.169092D+02 -0.546035D-01
      3   0.153230D+01 -0.282875D+01 -0.552635D+01  0.540007D+01 -0.492096D+01
      4  -0.228358D+00 -0.102806D+02 -0.114974D+02 -0.150990D+01 -0.124364D+02
      5   0.469616D+01 -0.673267D+01  0.807100D+00 -0.109562D+02  0.225257D+01
      6  -0.123904D+02  0.226972D+01 -0.902834D+01  0.516308D+01 -0.101163D+02
                36            37            38            39            40 
      1  -0.185209D+01  0.285452D+01  0.182587D+01 -0.104249D+02  0.181153D+01
      2  -0.293002D+01  0.435166D+01  0.139940D+02  0.280588D+01  0.138357D+02
      3   0.478211D+01 -0.720618D+01 -0.158199D+02  0.761898D+01 -0.156472D+02
      4   0.837345D+01 -0.141727D+01 -0.796780D+01  0.898370D-01 -0.843636D+01
      5   0.138468D+00 -0.208703D+01 -0.274728D+01 -0.107479D+02 -0.391934D+01
      6   0.298652D+01  0.197180D+01 -0.354387D+01 -0.136435D+02 -0.418530D+01
                41            42            43            44            45 
      1  -0.284994D+01 -0.218970D+01 -0.108026D+02 -0.169830D+01  0.362073D+00
      2  -0.768893D+01  0.434154D+01  0.408139D+01  0.313682D+01  0.357915D+01
      3   0.105389D+02 -0.215184D+01  0.672121D+01 -0.143852D+01 -0.394122D+01
      4   0.962758D+01  0.309116D+01 -0.579084D+00  0.498921D+01 -0.792444D+01
      5  -0.619718D+01 -0.124897D+02 -0.923797D+01 -0.116789D+02  0.776436D+01
      6   0.364070D+01  0.698574D+00 -0.126566D+02  0.938537D+00 -0.496690D+01
                46            47            48            49            50 
      1  -0.173426D+01  0.334493D+01 -0.574903D+01  0.282894D+01 -0.610008D+01
      2  -0.441038D+00 -0.979623D+00 -0.152818D+01 -0.774521D+00  0.238753D+01
      3   0.217530D+01 -0.236530D+01  0.727722D+01 -0.205442D+01  0.371255D+01
      4  -0.675892D+00  0.229866D+01 -0.239188D+00  0.375666D+01  0.240132D+01
      5   0.281977D+01 -0.775111D+00  0.305743D+01 -0.158620D+01 -0.280897D+01
      6  -0.196137D+01  0.286360D+01 -0.392485D+01  0.220042D+00 -0.897835D+01
                51            52            53            54            55 
      1   0.952618D+01 -0.411328D+01  0.920666D+01 -0.201167D+02  0.131034D+02
      2  -0.925819D-01  0.105378D+01 -0.684962D-01 -0.104105D+02 -0.740095D+01
      3  -0.943360D+01  0.305950D+01 -0.913816D+01  0.305272D+02 -0.570250D+01
      4  -0.299094D+01 -0.687698D+00 -0.345371D+01  0.367478D+01 -0.801487D+01
      5   0.368599D+01  0.543768D+01  0.311138D+01 -0.936048D+01 -0.963034D+01
      6   0.119842D+02 -0.142892D+01  0.115532D+02 -0.156715D+02  0.487041D+01
                56            57            58            59            60 
      1  -0.592700D+01 -0.315454D+01 -0.872365D+01  0.313169D+01  0.150233D+01
      2   0.449779D+01  0.395453D+01  0.581756D+01  0.674994D+00 -0.386758D+01
      3   0.142922D+01 -0.799991D+00  0.290609D+01 -0.380668D+01  0.236525D+01
      4   0.105560D+02  0.415313D+01  0.121144D+02 -0.156752D+02 -0.512521D+01
      5   0.689450D+01  0.697110D+01  0.101037D+02 -0.786115D+01 -0.867049D+01
      6  -0.520409D+01 -0.341365D+01 -0.643745D+01  0.120243D+02  0.740250D+01
                61            62            63            64            65 
      1  -0.174190D+01  0.166157D+01 -0.126752D+01  0.225787D+02  0.928185D+01
      2   0.362798D+01 -0.277606D+01 -0.385772D+01 -0.624672D+01  0.749111D+00
      3  -0.188608D+01  0.111450D+01  0.512524D+01 -0.163320D+02 -0.100310D+02
      4   0.362027D+01 -0.354128D+01 -0.360868D+01  0.150341D+02  0.135079D+02
      5   0.684299D+01 -0.559997D+01 -0.679673D+01 -0.182670D+01 -0.110171D-01
      6  -0.383632D+01  0.647673D+01  0.314009D+01 -0.154871D+01 -0.275850D+01
                66            67            68            69            70 
      1   0.404641D+01  0.103833D+02  0.513438D+01  0.312923D+01  0.811989D+01
      2  -0.192675D+00  0.855106D+00  0.570370D+01  0.172757D+01 -0.207625D+01
      3  -0.385373D+01 -0.112384D+02 -0.108381D+02 -0.485681D+01 -0.604364D+01
      4   0.354689D+01  0.149510D+02  0.140209D+02  0.229171D+01  0.622921D+01
      5   0.454456D+01 -0.870330D+00 -0.104952D+01  0.354036D+01  0.352819D+01
      6   0.501550D+00 -0.265034D+01 -0.189546D+01  0.345429D+01  0.626005D+00
                71            72            73            74            75 
      1   0.344847D+01  0.146510D+01  0.741705D+01 -0.459803D+00  0.351431D+01
      2   0.205640D+01 -0.154073D+00 -0.821531D+01  0.158449D+01 -0.870170D+01
      3  -0.550487D+01 -0.131103D+01  0.798259D+00 -0.112468D+01  0.518739D+01
      4   0.531081D+01  0.374211D+01  0.138297D+01  0.281081D+01 -0.564775D+00
      5   0.264850D+01  0.446230D+01  0.983994D+01 -0.286706D+01  0.127690D+02
      6   0.232991D+01  0.103408D+01  0.272249D+00  0.300507D+00  0.196453D+01
                76            77            78            79            80 
      1  -0.247926D+01 -0.152902D+01 -0.572620D+00  0.358063D+01 -0.161335D+01
      2   0.340912D+01 -0.989049D+00  0.712550D+01 -0.100462D+02  0.579020D+01
      3  -0.929864D+00  0.251807D+01 -0.655288D+01  0.646561D+01 -0.417685D+01
      4   0.209853D+01 -0.363982D+01  0.277571D+01  0.325625D+00  0.360136D+01
      5  -0.569509D+01  0.327063D+01 -0.683750D+01  0.143356D+02 -0.334617D+01
      6   0.607832D+00 -0.236489D+01  0.354681D+01  0.224713D+01  0.491563D+01
                81            82            83            84            85 
      1  -0.335806D+01  0.261000D+02  0.592723D+01 -0.796682D+01  0.403154D+01
      2  -0.190017D+02 -0.816043D+01  0.121454D+01  0.784983D+00  0.185509D+01
      3   0.223597D+02 -0.179396D+02 -0.714177D+01  0.718184D+01 -0.588664D+01
      4  -0.456586D-01  0.172465D+02  0.104522D+02 -0.592393D+01  0.928921D+01
      5   0.211522D+02 -0.390557D+01 -0.136681D+01  0.745229D+01 -0.123473D+01
      6   0.431283D+01 -0.387696D+01 -0.191921D+01  0.431942D+01 -0.241453D+01
                86            87            88            89            90 
      1   0.842795D+00 -0.184383D+01 -0.114414D+02 -0.209575D+01  0.508587D+01
      2   0.448803D+01 -0.140910D+00  0.241253D+01 -0.157381D+01 -0.316447D+01
      3  -0.533083D+01  0.198474D+01  0.902886D+01  0.366957D+01 -0.192140D+01
      4   0.657017D+01 -0.400232D+01 -0.926133D+01 -0.689447D+01  0.462396D+01
      5  -0.182822D+01  0.550461D+00  0.730627D+01  0.149736D+01 -0.665030D+01
      6  -0.357622D+00  0.304927D+01  0.431358D+01  0.304215D+01 -0.569425D+01
                91            92            93            94            95 
      1  -0.194874D+01  0.816828D+01  0.244550D+01  0.631198D+01 -0.220363D+02
      2   0.377975D+01 -0.100976D+02 -0.206457D+01 -0.596347D+01  0.323226D+02
      3  -0.183101D+01  0.192936D+01 -0.380926D+00 -0.348514D+00 -0.102863D+02
      4  -0.371636D+01  0.407276D+01  0.237921D+00  0.560470D+01  0.435975D+01
      5  -0.307026D+01  0.173098D+01  0.206321D+01  0.224926D+01 -0.308180D+00
      6   0.224626D+01 -0.628498D+01 -0.451119D+01 -0.321433D+01  0.177485D+02
                96            97            98            99           100 
      1  -0.801970D+01  0.109657D+01 -0.718398D+01 -0.502239D+01  0.458991D+01
      2   0.715889D+01 -0.174051D+01  0.583880D+01  0.201467D+01  0.298149D+00
      3   0.860810D+00  0.643945D+00  0.134518D+01  0.300772D+01 -0.488806D+01
      4   0.118651D+01  0.433377D-01  0.976513D+00  0.304955D+00 -0.876763D+01
      5   0.542796D+00  0.293374D+01 -0.163816D+00  0.153569D+01  0.338325D+01
      6   0.109104D+02 -0.187391D+01  0.102937D+02  0.685345D+01 -0.362058D+01
               101           102           103           104           105 
      1  -0.189747D+01  0.106454D+01 -0.956034D+00 -0.556647D+01  0.177999D+01
      2  -0.296302D+01  0.250405D+01 -0.358017D+01  0.137086D+02 -0.655671D+01
      3   0.486049D+01 -0.356860D+01  0.453621D+01 -0.814217D+01  0.477672D+01
      4   0.868288D+01 -0.547228D+01  0.777688D+01 -0.891195D+01  0.691793D+01
      5  -0.309124D+01  0.670592D+01 -0.249128D+01  0.420120D+01 -0.360890D+01
      6   0.449754D+01 -0.514092D+01  0.470046D+01 -0.785315D+01  0.970466D+01
               106           107           108           109           110 
      1   0.191434D+01  0.366345D+01 -0.264950D+01 -0.257260D+01 -0.856925D+01
      2   0.259484D+01 -0.101375D+02  0.307216D+01  0.417108D+01  0.128953D+02
      3  -0.450917D+01  0.647402D+01 -0.422663D+00 -0.159848D+01 -0.432603D+01
      4  -0.844056D+01  0.100234D+02 -0.786832D+01  0.896604D+01  0.731631D+01
      5   0.709556D+01 -0.489501D+01  0.928164D+01  0.296033D+01  0.185948D+01
      6  -0.610770D+01  0.114216D+02 -0.156170D+02  0.536499D+01  0.838303D+01
               111           112           113           114           115 
      1  -0.545091D+01 -0.613402D+01 -0.157680D+02 -0.774109D+01 -0.467578D+01
      2   0.423569D+01  0.806002D+01  0.237177D+02  0.759274D+01  0.378727D+01
      3   0.121522D+01 -0.192600D+01 -0.794967D+01  0.148353D+00  0.888510D+00
      4   0.394889D+01  0.702082D+01  0.500042D+01  0.300787D+01  0.406806D+01
      5   0.366101D+01  0.131472D+01  0.157200D+01  0.309417D-01  0.420127D+01
      6   0.657059D+01  0.569311D+01  0.127220D+02  0.107749D+02  0.375600D+01
               116           117           118           119           120 
      1  -0.861956D+01 -0.711448D+01  0.186182D+02  0.331182D+00 -0.750780D+01
      2   0.823520D+01  0.403543D+01 -0.134717D+02 -0.240464D+01  0.968412D+01
      3   0.384364D+00  0.307905D+01 -0.514659D+01  0.207346D+01 -0.217632D+01
      4   0.270722D+01  0.151653D+01 -0.119030D+02  0.625628D+01  0.628152D+01
      5   0.437963D+00  0.117439D+01 -0.158284D+02  0.809380D+00  0.133232D+02
      6   0.120688D+02  0.998334D+01  0.662422D+01 -0.167301D+01 -0.666083D+01
               121           122           123           124           125 
      1   0.278251D+01  0.776282D+00 -0.136943D+01 -0.773794D+01 -0.173950D+01
      2  -0.313325D+01 -0.779889D+00  0.307628D+01  0.994446D+01  0.286302D+01
      3   0.350737D+00  0.360691D-02 -0.170685D+01 -0.220652D+01 -0.112352D+01
      4   0.347925D+01  0.818091D+00 -0.117098D+01  0.712340D+01 -0.251240D+01
      5  -0.189298D+01 -0.188200D+01  0.154705D+01  0.136628D+02 -0.127640D+01
      6  -0.760227D+00  0.658673D-01  0.292439D+01 -0.623768D+01  0.510385D+01
               126           127           128           129           130 
      1   0.195374D+01  0.487388D+01 -0.215912D+01 -0.129717D+00 -0.210484D+01
      2  -0.862999D+01  0.170401D+01 -0.706661D+01 -0.123661D+01 -0.739559D+01
      3   0.667626D+01 -0.657789D+01  0.922573D+01  0.136632D+01  0.950043D+01
      4  -0.600412D+01 -0.103389D+02  0.126886D+02 -0.389387D+00  0.129932D+02
      5  -0.130083D+02  0.475286D+01 -0.377632D+01  0.440404D+01 -0.464779D+01
      6   0.700920D+01 -0.404589D+01  0.609781D+01 -0.124681D+01  0.600536D+01
               131           132           133           134           135 
      1  -0.633024D+01  0.248490D+01 -0.104308D+01  0.528111D+00 -0.495866D+00
      2   0.233483D+02  0.125807D+01 -0.106802D+01  0.395758D+01  0.157811D+01
      3  -0.170181D+02 -0.374297D+01  0.211110D+01 -0.448569D+01 -0.108224D+01
      4  -0.179176D+02  0.436255D+00  0.223708D+01 -0.252805D+01 -0.166639D+01
      5   0.564869D+01 -0.205283D+01  0.256881D+01 -0.917347D+00 -0.112821D+01
      6  -0.132492D+02  0.617024D+01 -0.500078D+00  0.331194D+01  0.800010D+00
               136           137           138           139           140 
      1  -0.227764D+01 -0.355099D+01  0.893607D+01 -0.243915D+01 -0.370345D+01
      2  -0.423968D+01  0.341547D+00  0.536043D+01 -0.337350D+00  0.249736D+01
      3   0.651732D+01  0.320944D+01 -0.142965D+02  0.277650D+01  0.120610D+01
      4   0.643051D+01  0.436770D+01 -0.403006D+01  0.436588D+01  0.833092D+00
      5  -0.126442D+02 -0.289237D+01  0.111240D+02 -0.195039D+01 -0.206647D+01
      6  -0.521593D+01 -0.658219D+01  0.904785D+01 -0.380299D+01 -0.608872D+01
               141           142           143           144           145 
      1   0.468768D+01  0.684976D+01  0.505793D+01 -0.138852D+02  0.979907D+01
      2  -0.136043D+01  0.290939D+01 -0.500844D+00 -0.947473D+01 -0.121225D+02
      3  -0.332726D+01 -0.975916D+01 -0.455709D+01  0.233599D+02  0.232348D+01
      4  -0.230529D+01 -0.340595D+01 -0.183815D+01  0.395929D+01  0.194727D+01
      5   0.292270D+01  0.100572D+02  0.320913D+01 -0.863807D+01  0.162407D+02
      6   0.799616D+01  0.614266D+01  0.778361D+01 -0.110560D+02  0.304615D+01
               146           147           148           149           150 
      1   0.308622D+01  0.303777D+01  0.408481D+01  0.793120D+00 -0.138660D+01
      2  -0.592168D+01 -0.958000D+01 -0.696855D+01 -0.163780D+01 -0.651888D+01
      3   0.283546D+01  0.654224D+01  0.288374D+01  0.844676D+00  0.790548D+01
      4   0.516922D+01  0.612997D+00  0.473788D+01  0.399749D+01  0.219610D+01
      5   0.564426D+01  0.142554D+02  0.886535D+01  0.631933D+01  0.891511D+01
      6   0.549941D+01  0.305801D+01  0.526931D+01  0.763329D+01  0.553682D+01
               151           152           153 
      1   0.226760D+01 -0.140927D+00 -0.279261D+01
      2  -0.817680D+01 -0.428637D+01 -0.110897D+02
      3   0.590920D+01  0.442729D+01  0.138823D+02
      4   0.303836D+00  0.136862D+01  0.192287D+01
      5   0.123747D+02  0.585248D+01  0.116830D+02
      6   0.345976D+01  0.516030D+01  0.332879D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:53:24 2022, MaxMem=  5368709120 cpu:            2107.0 elap:             263.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19399 -10.17098 -10.17098 -10.17098 -10.17096
 Alpha  occ. eigenvalues --   -0.81661  -0.67907  -0.67907  -0.67906  -0.53009
 Alpha  occ. eigenvalues --   -0.45052  -0.45052  -0.45052  -0.40265  -0.40265
 Alpha  occ. eigenvalues --   -0.36497  -0.36497  -0.36497  -0.32404  -0.32404
 Alpha  occ. eigenvalues --   -0.32403
 Alpha virt. eigenvalues --    0.01275   0.05491   0.05491   0.05491   0.08011
 Alpha virt. eigenvalues --    0.08012   0.08012   0.10343   0.11644   0.11645
 Alpha virt. eigenvalues --    0.14323   0.14323   0.14323   0.15436   0.15436
 Alpha virt. eigenvalues --    0.15436   0.16394   0.16394   0.20845   0.20846
 Alpha virt. eigenvalues --    0.20846   0.25174   0.25174   0.25174   0.27538
 Alpha virt. eigenvalues --    0.27538   0.27539   0.28499   0.30477   0.32871
 Alpha virt. eigenvalues --    0.32871   0.32872   0.34267   0.34267   0.34267
 Alpha virt. eigenvalues --    0.36008   0.36009   0.37399   0.37399   0.37399
 Alpha virt. eigenvalues --    0.37689   0.37689   0.37689   0.38801   0.39508
 Alpha virt. eigenvalues --    0.39508   0.41707   0.41707   0.41707   0.45455
 Alpha virt. eigenvalues --    0.46233   0.46233   0.46233   0.47686   0.47687
 Alpha virt. eigenvalues --    0.49794   0.49794   0.49795   0.51344   0.51345
 Alpha virt. eigenvalues --    0.51345   0.53425   0.54445   0.54445   0.54445
 Alpha virt. eigenvalues --    0.57510   0.57511   0.57511   0.62753   0.62753
 Alpha virt. eigenvalues --    0.62754   0.63231   0.64318   0.64318   0.64318
 Alpha virt. eigenvalues --    0.64646   0.64646   0.72281   0.72281   0.78407
 Alpha virt. eigenvalues --    0.78408   0.78408   0.80978   0.86896   0.86896
 Alpha virt. eigenvalues --    0.86896   0.94570   0.94570   0.94570   0.96074
 Alpha virt. eigenvalues --    0.99262   0.99263   0.99264   1.02852   1.02852
 Alpha virt. eigenvalues --    1.02852   1.05021   1.05022   1.20421   1.20421
 Alpha virt. eigenvalues --    1.20423   1.23220   1.31741   1.31741   1.31741
 Alpha virt. eigenvalues --    1.33827   1.34681   1.34681   1.34684   1.38582
 Alpha virt. eigenvalues --    1.38585   1.38586   1.48886   1.48889   1.58615
 Alpha virt. eigenvalues --    1.58618   1.58619   1.66209   1.66209   1.70067
 Alpha virt. eigenvalues --    1.79830   1.79832   1.83205   1.83205   1.83205
 Alpha virt. eigenvalues --    1.83690   1.83694   1.83695   1.89343   1.89347
 Alpha virt. eigenvalues --    1.89350   2.00546   2.00546   2.00547   2.03888
 Alpha virt. eigenvalues --    2.03888   2.03891   2.09796   2.09800   2.12844
 Alpha virt. eigenvalues --    2.12847   2.12847   2.14384   2.23603   2.23604
 Alpha virt. eigenvalues --    2.23605   2.33510   2.33511   2.39641   2.39642
 Alpha virt. eigenvalues --    2.39644   2.42607   2.55225   2.55226   2.55227
 Alpha virt. eigenvalues --    2.60082   2.60082   2.60084   2.68397   2.68398
 Alpha virt. eigenvalues --    2.70855   2.70857   2.70858   2.85720   3.01872
 Alpha virt. eigenvalues --    3.01874   3.01876   3.11994   3.11995   3.11998
 Alpha virt. eigenvalues --    3.13645   3.13646   3.13649   3.24682   3.24685
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.083812  -0.210175  -0.210163  -0.210292  -0.209645   0.034333
     2  C   -0.210175   4.436226  -0.043791  -0.043792  -0.043794   0.114638
     3  C   -0.210163  -0.043791   4.436185  -0.043772  -0.043814   0.002316
     4  C   -0.210292  -0.043792  -0.043772   4.436302  -0.043817   0.002360
     5  C   -0.209645  -0.043794  -0.043814  -0.043817   4.435838   0.004462
     6  H    0.034333   0.114638   0.002316   0.002360   0.004462   0.986344
     7  H    0.035064   0.114506   0.002274   0.004415   0.002257  -0.090659
     8  H    0.034848   0.114505   0.004429   0.002257   0.002323  -0.090607
     9  H    0.034622   0.002294   0.114572   0.002342   0.004446   0.005077
    10  H    0.034650   0.004435   0.114562   0.002278   0.002332   0.002480
    11  H    0.034964   0.002303   0.114523   0.004426   0.002235  -0.012563
    12  H    0.035221   0.002260   0.002283   0.114420   0.004422   0.005033
    13  H    0.034588   0.002350   0.004441   0.114575   0.002262  -0.012576
    14  H    0.034466   0.004442   0.002346   0.114580   0.002296   0.002472
    15  H    0.034172   0.002338   0.002347   0.004463   0.114691   0.002481
    16  H    0.035084   0.004428   0.002248   0.002281   0.114515  -0.001493
    17  H    0.034762   0.002278   0.004441   0.002319   0.114577   0.002480
               7          8          9         10         11         12
     1  C    0.035064   0.034848   0.034622   0.034650   0.034964   0.035221
     2  C    0.114506   0.114505   0.002294   0.004435   0.002303   0.002260
     3  C    0.002274   0.004429   0.114572   0.114562   0.114523   0.002283
     4  C    0.004415   0.002257   0.002342   0.002278   0.004426   0.114420
     5  C    0.002257   0.002323   0.004446   0.002332   0.002235   0.004422
     6  H   -0.090659  -0.090607   0.005077   0.002480  -0.012563   0.005033
     7  H    0.985993  -0.090609  -0.012618   0.002463   0.005006   0.002466
     8  H   -0.090609   0.985975   0.002471  -0.001490   0.002465  -0.012606
     9  H   -0.012618   0.002471   0.986197  -0.090626  -0.090622   0.005009
    10  H    0.002463  -0.001490  -0.090626   0.986102  -0.090626  -0.012631
    11  H    0.005006   0.002465  -0.090622  -0.090626   0.986055   0.002461
    12  H    0.002466  -0.012606   0.005009  -0.012631   0.002461   0.985961
    13  H    0.002464   0.005048   0.002473   0.002477  -0.001491  -0.090642
    14  H   -0.001490   0.002479  -0.012546   0.005061   0.002475  -0.090612
    15  H    0.005045  -0.012581   0.002482  -0.012534   0.005054  -0.001492
    16  H    0.002469   0.002461   0.002469   0.005013  -0.012646   0.002466
    17  H   -0.012593   0.005015  -0.001492   0.002470   0.002470   0.002464
              13         14         15         16         17
     1  C    0.034588   0.034466   0.034172   0.035084   0.034762
     2  C    0.002350   0.004442   0.002338   0.004428   0.002278
     3  C    0.004441   0.002346   0.002347   0.002248   0.004441
     4  C    0.114575   0.114580   0.004463   0.002281   0.002319
     5  C    0.002262   0.002296   0.114691   0.114515   0.114577
     6  H   -0.012576   0.002472   0.002481  -0.001493   0.002480
     7  H    0.002464  -0.001490   0.005045   0.002469  -0.012593
     8  H    0.005048   0.002479  -0.012581   0.002461   0.005015
     9  H    0.002473  -0.012546   0.002482   0.002469  -0.001492
    10  H    0.002477   0.005061  -0.012534   0.005013   0.002470
    11  H   -0.001491   0.002475   0.005054  -0.012646   0.002470
    12  H   -0.090642  -0.090612  -0.001492   0.002466   0.002464
    13  H    0.986256  -0.090632   0.002484  -0.012585   0.005044
    14  H   -0.090632   0.986156   0.002478   0.005029  -0.012600
    15  H    0.002484   0.002478   0.986340  -0.090632  -0.090627
    16  H   -0.012585   0.005029  -0.090632   0.986090  -0.090624
    17  H    0.005044  -0.012600  -0.090627  -0.090624   0.986117
 Mulliken charges:
               1
     1  C   -6.660310
     2  C    1.534548
     3  C    1.534574
     4  C    1.534654
     5  C    1.534413
     6  H    0.043422
     7  H    0.043546
     8  H    0.043613
     9  H    0.043450
    10  H    0.043582
    11  H    0.043511
    12  H    0.043517
    13  H    0.043465
    14  H    0.043599
    15  H    0.043490
    16  H    0.043426
    17  H    0.043499
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -6.660310
     2  C    1.665130
     3  C    1.665117
     4  C    1.665235
     5  C    1.664829
 Electronic spatial extent (au):  <R**2>=            485.2095
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -36.0080   YY=            -36.0079   ZZ=            -36.0079
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0000
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3828  YYY=             -1.0691  ZZZ=             -0.8643  XYY=              1.7213
  XXY=              0.0184  XXZ=              1.3781  XZZ=             -1.3385  YZZ=              1.0504
  YYZ=             -0.5138  XYZ=              1.8449
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -235.6759 YYYY=           -235.0172 ZZZZ=           -235.2135 XXXY=              0.7120
 XXXZ=             -0.6496 YYYX=             -0.7649 YYYZ=              0.8841 ZZZX=              0.3474
 ZZZY=             -1.0879 XXYY=            -77.6970 XXZZ=            -77.4941 YYZZ=            -78.1366
 XXYZ=              0.2034 YYXZ=              0.3025 ZZXY=              0.0528
 N-N= 1.985720799793D+02 E-N=-8.522127690589D+02  KE= 1.950982081673D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:53:24 2022, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290712D-06-2.40208723D-06-2.94381932D-06
 Polarizability= 6.33545600D+01 1.19950012D-04 6.33541331D+01
                 3.32805355D-04-2.65587198D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0006   -0.0002       -0.0007    0.0000
 2      0.0006    0.0002        0.0000    0.0001       -0.0026   -0.0003
 3      0.0007   -0.0000        0.0027    0.0001       -0.0004   -0.0001
 4     -0.0000   -0.0001       -0.0000    0.0000        0.0009   -0.0000
 5     -0.0001    0.0002       -0.0009    0.0000       -0.0003   -0.0002
 6      0.0004    0.0001        0.0003    0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0005    0.0005        0.0001    0.0001
 2     -0.0004   -0.0004        0.0000    0.0000        0.0001    0.0001
 3     -0.0004   -0.0004        0.0005    0.0005       -0.0000    0.0000
 4      0.0005    0.0005        0.0004    0.0004       -0.0009   -0.0009
 5     -0.0001   -0.0001        0.0003    0.0003       -0.0004   -0.0004
 6      0.0006    0.0006        0.0001    0.0001       -0.0005   -0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0357    0.0000        0.0173    0.0007       -0.0284   -0.0001
 2      0.0367   -0.0007        0.0320   -0.0005       -0.0060    0.0012
 3      0.0429    0.0001        0.0137   -0.0004        0.0009    0.0005
 4     -0.0203    0.0005        0.0017    0.0000       -0.0233    0.0001
 5     -0.0132   -0.0008       -0.0184   -0.0001       -0.0347    0.0007
 6      0.0004   -0.0005       -0.0015   -0.0007       -0.0027    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0025    0.0000       -0.0022   -0.0011       -0.0154    0.0003
 2     -0.0449    0.0011        0.0119    0.0007       -0.0174   -0.0016
 3      0.0020   -0.0003       -0.0265    0.0016        0.0125   -0.0007
 4      0.0099   -0.0007        0.0059    0.0000        0.0011   -0.0003
 5      0.0541   -0.0001       -0.0298    0.0003        0.0089   -0.0011
 6     -0.0006    0.0007        0.0022    0.0011        0.0286    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.2404    3.2525        1.0693    1.1004        2.0585    2.0063
 2      3.2529    3.2507        1.0623    1.1014        2.0312    2.0063
 3      3.2491    3.2507        1.0635    1.1004        2.0471    2.0067
 4     -0.0785   -0.0010        0.0295    0.0018        0.0029    0.0009
 5      0.0267    0.0004       -0.0320    0.0007       -0.0283   -0.0018
 6      0.0686   -0.0017       -0.0322   -0.0004        0.0130    0.0010
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9201   -5.0672   -2.2751   -0.0003    0.0004    0.0006
 Low frequencies ---  161.9432  206.5989  229.8046
 Diagonal vibrational polarizability:
        0.7232531       0.7231491       0.7231907
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.9421               206.5987               229.8044
 Red. masses --      1.6866                 1.8153                 1.4485
 Frc consts  --      0.0261                 0.0457                 0.0451
 IR Inten    --      0.0000                 0.0001                 0.0003
 RamAct Fr= 1--      0.0007                 0.0030                 0.0060
  Dep-P Fr= 1--      0.7481                 0.7479                 0.7496
  Dep-U Fr= 1--      0.8559                 0.8557                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0004                 0.0009
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0000                -0.0003                 0.0015
 Delta2 Fr= 1--     -0.0000                 0.0005                -0.0028
 Raman1 Fr= 1--       0.003                  0.012                  0.024
 ROA1   Fr= 1--      -0.001                 -0.015                  0.052
 CID1   Fr= 1--      -0.408                 -1.244                  2.160
 Raman2 Fr= 1--       0.001                  0.005                  0.010
 ROA2   Fr= 1--      -0.000                 -0.012                  0.058
 CID2   Fr= 1--      -0.221                 -2.400                  5.627
 Raman3 Fr= 1--       0.002                  0.010                  0.020
 ROA3   Fr= 1--      -0.001                 -0.015                  0.052
 CID3   Fr= 1--      -0.477                 -1.453                  2.521
 RC180  Fr= 1--       0.712                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.01  -0.01
     2   6    -0.01   0.01  -0.02    -0.01   0.03   0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00  -0.02     0.00  -0.03   0.00
     4   6     0.01  -0.00   0.01    -0.03  -0.03   0.03    -0.01  -0.00  -0.04
     5   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.01   0.01   0.01
     6   1    -0.01   0.22   0.09    -0.03  -0.04  -0.02     0.08   0.46   0.23
     7   1    -0.15  -0.01  -0.21     0.06   0.06   0.07    -0.29  -0.06  -0.38
     8   1     0.11  -0.17   0.05    -0.07   0.11  -0.00     0.25  -0.41   0.21
     9   1     0.28  -0.16  -0.19     0.27  -0.12  -0.20    -0.09  -0.01   0.06
    10   1    -0.19   0.31  -0.11    -0.17   0.24  -0.16     0.07  -0.12   0.05
    11   1    -0.10  -0.16   0.36    -0.05  -0.12   0.26     0.05   0.02  -0.08
    12   1    -0.18  -0.10   0.03     0.03   0.03   0.03    -0.10  -0.09  -0.05
    13   1     0.06   0.08  -0.18    -0.07  -0.06   0.13     0.01   0.06  -0.15
    14   1     0.14   0.02   0.18    -0.08  -0.07  -0.04     0.05   0.02   0.05
    15   1     0.26   0.14  -0.05    -0.36  -0.23   0.01    -0.17  -0.09   0.06
    16   1     0.00  -0.27  -0.13     0.08   0.37   0.20     0.00   0.20   0.10
    17   1    -0.19   0.11   0.14     0.35  -0.19  -0.26     0.13  -0.05  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    265.3689               300.8396               303.9781
 Red. masses --      1.0794                 2.5422                 2.4564
 Frc consts  --      0.0448                 0.1356                 0.1337
 IR Inten    --      0.0000                 0.0008                 0.0008
 RamAct Fr= 1--      0.0155                 0.8919                 0.9504
  Dep-P Fr= 1--      0.7471                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8553                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0022                 0.1274                 0.1358
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0011                 0.0013                -0.0007
 Delta2 Fr= 1--      0.0028                 0.0019                -0.0032
 Raman1 Fr= 1--       0.062                  3.567                  3.802
 ROA1   Fr= 1--      -0.016                  0.185                 -0.169
 CID1   Fr= 1--      -0.261                  0.052                 -0.045
 Raman2 Fr= 1--       0.027                  1.529                  1.629
 ROA2   Fr= 1--      -0.050                  0.015                  0.010
 CID2   Fr= 1--      -1.868                  0.010                  0.006
 Raman3 Fr= 1--       0.053                  3.058                  3.258
 ROA3   Fr= 1--      -0.016                  0.185                 -0.169
 CID3   Fr= 1--      -0.305                  0.060                 -0.052
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.02   0.02
     2   6    -0.01   0.01  -0.02     0.07  -0.11   0.08    -0.09  -0.11  -0.10
     3   6    -0.01  -0.02   0.03    -0.09   0.09  -0.05     0.07   0.01  -0.12
     4   6     0.01   0.01  -0.01    -0.13  -0.10  -0.01     0.04  -0.03   0.15
     5   6     0.01   0.01  -0.01     0.14   0.08  -0.00    -0.02   0.11   0.10
     6   1    -0.01   0.13   0.05     0.24  -0.07   0.03    -0.20  -0.07  -0.04
     7   1    -0.09  -0.00  -0.13     0.00  -0.17   0.14    -0.26  -0.18  -0.21
     8   1     0.06  -0.09   0.02     0.11  -0.20   0.16     0.08  -0.20  -0.23
     9   1    -0.01  -0.06   0.01    -0.03   0.27   0.01     0.20   0.10  -0.14
    10   1    -0.01   0.03   0.05    -0.14   0.17  -0.08    -0.03  -0.11  -0.29
    11   1    -0.02  -0.04   0.08    -0.25   0.05  -0.17     0.17   0.07  -0.18
    12   1     0.49   0.28  -0.08    -0.14  -0.13  -0.03     0.05   0.12   0.23
    13   1    -0.12  -0.21   0.47    -0.27  -0.02   0.06     0.09  -0.14   0.24
    14   1    -0.33  -0.04  -0.44    -0.17  -0.23  -0.09     0.05  -0.08   0.14
    15   1     0.08   0.04  -0.02     0.30   0.17  -0.01     0.05   0.10   0.27
    16   1     0.01  -0.07  -0.03     0.28  -0.03   0.11    -0.05   0.18   0.09
    17   1    -0.04   0.04   0.02     0.08   0.25  -0.13    -0.10   0.24   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    374.6556               381.5776               389.9023
 Red. masses --      2.4596                 2.4673                 2.2592
 Frc consts  --      0.2034                 0.2117                 0.2024
 IR Inten    --      0.0506                 0.0347                 0.0547
 RamAct Fr= 1--      0.2197                 0.1593                 0.2605
  Dep-P Fr= 1--      0.7496                 0.7454                 0.7315
  Dep-U Fr= 1--      0.8569                 0.8541                 0.8449
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0314                 0.0227                 0.0367
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0016                -0.0001                 0.0032
 Delta2 Fr= 1--      0.0004                -0.0078                 0.0097
 Raman1 Fr= 1--       0.879                  0.637                  1.042
 ROA1   Fr= 1--      -0.141                 -0.263                  0.614
 CID1   Fr= 1--      -0.161                 -0.412                  0.589
 Raman2 Fr= 1--       0.376                  0.272                  0.440
 ROA2   Fr= 1--      -0.042                  0.059                 -0.001
 CID2   Fr= 1--      -0.111                  0.217                 -0.002
 Raman3 Fr= 1--       0.753                  0.544                  0.880
 ROA3   Fr= 1--      -0.141                 -0.263                  0.614
 CID3   Fr= 1--      -0.188                 -0.483                  0.697
 RC180  Fr= 1--       0.714                  0.708                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.14    -0.13   0.09  -0.01    -0.07  -0.12  -0.03
     2   6     0.13   0.02  -0.05    -0.01  -0.09   0.09    -0.03   0.09   0.10
     3   6    -0.04  -0.03   0.03     0.01  -0.07  -0.02    -0.10  -0.10  -0.07
     4   6    -0.00  -0.09   0.14    -0.02   0.15   0.09     0.16  -0.01  -0.01
     5   6    -0.09   0.09  -0.07     0.02   0.03  -0.13     0.02   0.05   0.02
     6   1     0.30   0.03  -0.11     0.26  -0.10  -0.02    -0.00   0.12   0.10
     7   1     0.16   0.00   0.03    -0.13  -0.22   0.26     0.23   0.24   0.09
     8   1     0.09  -0.01   0.05     0.05  -0.21   0.17    -0.25   0.21   0.26
     9   1    -0.20  -0.17   0.03    -0.01  -0.26  -0.11    -0.09  -0.06  -0.06
    10   1     0.08   0.09   0.22     0.02  -0.24  -0.07    -0.13  -0.09  -0.10
    11   1    -0.12  -0.10   0.11     0.27   0.03   0.11    -0.16  -0.11  -0.11
    12   1    -0.16   0.10   0.32    -0.02   0.26   0.15     0.22   0.08   0.01
    13   1    -0.00  -0.17   0.25     0.10   0.03   0.09     0.37  -0.18  -0.08
    14   1     0.11  -0.35   0.20     0.01   0.20   0.14     0.17   0.21   0.06
    15   1    -0.11   0.03   0.12     0.06   0.10  -0.33     0.16   0.09   0.15
    16   1    -0.22   0.24  -0.16     0.17  -0.14  -0.02     0.10   0.07   0.11
    17   1    -0.15   0.13  -0.04     0.07   0.02  -0.20    -0.06   0.27  -0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    680.5378               748.5265               773.6132
 Red. masses --      3.3640                 2.4097                 2.6635
 Frc consts  --      0.9179                 0.7955                 0.9392
 IR Inten    --      0.0386                 0.0862                 0.3096
 RamAct Fr= 1--     14.3773                 0.8558                 2.3841
  Dep-P Fr= 1--      0.0056                 0.2476                 0.7065
  Dep-U Fr= 1--      0.0112                 0.3970                 0.8280
 Alpha2 Fr= 1--      0.3153                 0.0102                 0.0018
 Beta2  Fr= 1--      0.0268                 0.0566                 0.3290
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.0374                -0.0107                 0.0596
 Delta2 Fr= 1--     -0.0400                -0.0061                 0.0675
 Raman1 Fr= 1--      57.509                  3.423                  9.536
 ROA1   Fr= 1--      -4.876                 -1.220                  7.881
 CID1   Fr= 1--      -0.085                 -0.356                  0.826
 Raman2 Fr= 1--       0.322                  0.679                  3.948
 ROA2   Fr= 1--      -0.579                 -0.207                  0.890
 CID2   Fr= 1--      -1.799                 -0.305                  0.226
 Raman3 Fr= 1--       0.643                  1.359                  7.896
 ROA3   Fr= 1--      -4.876                 -1.220                  7.881
 CID3   Fr= 1--      -7.582                 -0.898                  0.998
 RC180  Fr= 1--      -0.978                 -0.206                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.00     0.00   0.01  -0.03    -0.06  -0.01   0.01
     2   6     0.12   0.07  -0.16     0.06  -0.00   0.01     0.02   0.03  -0.11
     3   6    -0.13  -0.11  -0.08     0.03   0.08  -0.13    -0.10   0.13   0.10
     4   6    -0.08   0.14   0.04    -0.01   0.02   0.00     0.05  -0.11  -0.03
     5   6     0.08  -0.04   0.19    -0.08  -0.08   0.08    -0.04  -0.06   0.04
     6   1     0.30   0.07  -0.23    -0.24  -0.06   0.10     0.31   0.11  -0.20
     7   1     0.11   0.04  -0.10    -0.01  -0.00  -0.11     0.14   0.08  -0.02
     8   1     0.15   0.03  -0.14     0.12   0.05  -0.17    -0.09   0.03   0.07
     9   1    -0.15  -0.17  -0.10    -0.34  -0.31  -0.17     0.07  -0.03  -0.05
    10   1    -0.20  -0.20  -0.18     0.29   0.21   0.25    -0.17  -0.24  -0.13
    11   1    -0.18  -0.13  -0.13     0.04   0.01   0.12     0.47   0.39   0.27
    12   1    -0.09   0.17   0.06    -0.06   0.02   0.02     0.06  -0.20  -0.08
    13   1    -0.09   0.15   0.06    -0.04   0.04   0.01    -0.01  -0.05  -0.04
    14   1    -0.07   0.13   0.04     0.01  -0.04   0.01     0.02  -0.12  -0.08
    15   1     0.02  -0.07   0.15     0.11   0.02   0.08     0.06  -0.02   0.10
    16   1     0.09  -0.11   0.20     0.23  -0.18   0.41     0.09  -0.07   0.20
    17   1     0.13  -0.23   0.37    -0.07   0.16  -0.23    -0.08   0.11  -0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    808.5180               830.8554               858.0483
 Red. masses --      2.6897                 2.3778                 2.0632
 Frc consts  --      1.0359                 0.9671                 0.8950
 IR Inten    --      0.2977                 0.2363                 0.2511
 RamAct Fr= 1--      3.3011                 3.3104                 1.7736
  Dep-P Fr= 1--      0.6599                 0.5177                 0.3690
  Dep-U Fr= 1--      0.7951                 0.6822                 0.5391
 Alpha2 Fr= 1--      0.0053                 0.0150                 0.0146
 Beta2  Fr= 1--      0.4374                 0.3764                 0.1593
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.2268                 0.3546                 0.0624
 Delta2 Fr= 1--     -0.2968                 0.4407                 0.0613
 Raman1 Fr= 1--      13.204                 13.241                  7.094
 ROA1   Fr= 1--     -31.269                 48.143                  7.952
 CID1   Fr= 1--      -2.368                  3.636                  1.121
 Raman2 Fr= 1--       5.249                  4.517                  1.912
 ROA2   Fr= 1--      -3.069                  4.984                  1.008
 CID2   Fr= 1--      -0.585                  1.104                  0.527
 Raman3 Fr= 1--      10.499                  9.033                  3.824
 ROA3   Fr= 1--     -31.269                 48.143                  7.952
 CID3   Fr= 1--      -2.978                  5.330                  2.079
 RC180  Fr= 1--       0.590                  0.364                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07   0.01     0.08  -0.01   0.06    -0.03   0.06  -0.02
     2   6     0.05   0.03  -0.10     0.19  -0.04   0.01     0.05  -0.01   0.01
     3   6     0.12  -0.08   0.09    -0.09  -0.03   0.06    -0.01  -0.02   0.02
     4   6    -0.07   0.07   0.03    -0.01   0.08   0.04     0.05  -0.09  -0.07
     5   6    -0.13  -0.06  -0.01    -0.04  -0.00  -0.08    -0.11   0.16   0.03
     6   1     0.18   0.06  -0.14    -0.43  -0.05   0.26    -0.14  -0.00   0.08
     7   1     0.10   0.05  -0.10     0.25   0.09  -0.27     0.05   0.02  -0.07
     8   1     0.03   0.02  -0.05     0.15   0.15  -0.19     0.03   0.05  -0.05
     9   1     0.33   0.38   0.25     0.04  -0.02   0.00     0.04   0.06   0.04
    10   1     0.04   0.12   0.06    -0.25  -0.28  -0.21    -0.07  -0.04  -0.05
    11   1    -0.16  -0.16  -0.14     0.02   0.04   0.00    -0.02  -0.01  -0.04
    12   1    -0.00   0.17   0.05    -0.08  -0.08  -0.02    -0.10   0.15   0.14
    13   1     0.10  -0.07  -0.02    -0.23   0.27   0.08     0.12  -0.26   0.06
    14   1    -0.06   0.25   0.10    -0.04  -0.09  -0.05     0.19  -0.31   0.04
    15   1     0.01   0.03  -0.05     0.01   0.02  -0.06    -0.19   0.24  -0.46
    16   1     0.14  -0.17   0.28    -0.04   0.03  -0.07     0.18  -0.32   0.20
    17   1    -0.12   0.18  -0.36    -0.08   0.14  -0.23     0.21  -0.26   0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    921.2613               990.8418              1020.9980
 Red. masses --      1.7071                 1.6877                 1.7517
 Frc consts  --      0.8537                 0.9763                 1.0759
 IR Inten    --      0.4507                 0.0762                 0.1067
 RamAct Fr= 1--      3.5638                 2.7989                 1.6177
  Dep-P Fr= 1--      0.6842                 0.6485                 0.7437
  Dep-U Fr= 1--      0.8125                 0.7868                 0.8530
 Alpha2 Fr= 1--      0.0041                 0.0051                 0.0002
 Beta2  Fr= 1--      0.4826                 0.3670                 0.2300
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.2649                -0.0886                 0.1420
 Delta2 Fr= 1--     -0.3036                -0.1043                 0.1659
 Raman1 Fr= 1--      14.255                 11.196                  6.471
 ROA1   Fr= 1--     -35.144                -11.845                 18.943
 CID1   Fr= 1--      -2.465                 -1.058                  2.927
 Raman2 Fr= 1--       5.791                  4.404                  2.760
 ROA2   Fr= 1--      -3.928                 -1.293                  2.082
 CID2   Fr= 1--      -0.678                 -0.294                  0.754
 Raman3 Fr= 1--      11.582                  8.809                  5.520
 ROA3   Fr= 1--     -35.144                -11.845                 18.943
 CID3   Fr= 1--      -3.034                 -1.345                  3.432
 RC180  Fr= 1--       0.625                  0.574                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.08  -0.06   0.01     0.00   0.06  -0.08
     2   6     0.02   0.13   0.02     0.12   0.00  -0.01     0.01   0.09   0.08
     3   6    -0.01  -0.03  -0.02    -0.02   0.03  -0.01    -0.02  -0.02   0.05
     4   6     0.04  -0.10   0.04    -0.12  -0.06   0.01    -0.01   0.00  -0.12
     5   6    -0.05   0.02  -0.03     0.05   0.03  -0.01     0.05  -0.11   0.01
     6   1     0.08  -0.13  -0.15    -0.15  -0.05   0.07    -0.10  -0.16  -0.01
     7   1    -0.42  -0.17   0.12     0.07   0.01  -0.13    -0.37  -0.14   0.10
     8   1     0.42  -0.09  -0.29     0.16   0.04  -0.13     0.31  -0.08  -0.15
     9   1    -0.09  -0.07  -0.01    -0.03   0.05  -0.00     0.05   0.07   0.07
    10   1    -0.04  -0.05  -0.06     0.03   0.07   0.06    -0.12  -0.07  -0.08
    11   1    -0.14  -0.09  -0.05     0.16   0.10   0.11     0.02   0.02  -0.00
    12   1     0.26  -0.37  -0.21     0.18   0.16  -0.00    -0.20   0.41   0.21
    13   1     0.05   0.03  -0.14     0.38  -0.40  -0.19     0.14  -0.28   0.08
    14   1    -0.10   0.20  -0.05    -0.12   0.55   0.18     0.20  -0.24   0.08
    15   1    -0.04   0.05  -0.13    -0.01  -0.01   0.01     0.10  -0.12   0.19
    16   1    -0.01  -0.02  -0.00    -0.05   0.06  -0.12     0.03   0.14   0.07
    17   1    -0.02   0.05  -0.11     0.05  -0.07   0.12    -0.14   0.08   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1075.3550              1078.2614              1083.0529
 Red. masses --      2.2139                 2.1778                 2.2560
 Frc consts  --      1.5084                 1.4918                 1.5592
 IR Inten    --      2.1403                 3.7086                 5.4275
 RamAct Fr= 1--      1.9939                 1.8566                 0.9701
  Dep-P Fr= 1--      0.7339                 0.7495                 0.7280
  Dep-U Fr= 1--      0.8465                 0.8568                 0.8426
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0004
 Beta2  Fr= 1--      0.2813                 0.2651                 0.1362
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0919                 0.0557                 0.1021
 Delta2 Fr= 1--     -0.1049                 0.0084                 0.2123
 Raman1 Fr= 1--       7.975                  7.426                  3.880
 ROA1   Fr= 1--     -12.181                  5.622                 16.593
 CID1   Fr= 1--      -1.527                  0.757                  4.276
 Raman2 Fr= 1--       3.376                  3.181                  1.635
 ROA2   Fr= 1--      -1.367                  1.270                  0.752
 CID2   Fr= 1--      -0.405                  0.399                  0.460
 Raman3 Fr= 1--       6.751                  6.363                  3.270
 ROA3   Fr= 1--     -12.181                  5.622                 16.593
 CID3   Fr= 1--      -1.804                  0.884                  5.075
 RC180  Fr= 1--       0.693                  0.714                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.02   0.02  -0.02
     2   6     0.02   0.00   0.01    -0.01  -0.00  -0.00     0.01  -0.01  -0.00
     3   6    -0.10   0.03  -0.02     0.04   0.04  -0.12     0.02  -0.11  -0.03
     4   6     0.01  -0.01   0.02     0.01   0.01  -0.01     0.03   0.00   0.04
     5   6    -0.01  -0.00  -0.10     0.00   0.00   0.01    -0.01  -0.01  -0.12
     6   1    -0.03  -0.01   0.02     0.01   0.00  -0.01    -0.04  -0.00   0.02
     7   1    -0.02  -0.01   0.00    -0.00   0.00  -0.01     0.04   0.01  -0.01
     8   1     0.02   0.00  -0.01    -0.02   0.00   0.01    -0.02  -0.01   0.04
     9   1     0.46   0.06  -0.25    -0.22   0.42   0.20    -0.26   0.18   0.24
    10   1     0.30  -0.33   0.34     0.12  -0.37  -0.16    -0.19   0.36  -0.13
    11   1    -0.19  -0.03   0.02    -0.14  -0.29   0.66     0.31   0.01   0.06
    12   1     0.04  -0.11  -0.05    -0.03   0.03   0.02     0.06  -0.19  -0.08
    13   1    -0.03   0.07  -0.03    -0.01   0.01   0.01    -0.10   0.17  -0.01
    14   1    -0.05   0.03  -0.04     0.02  -0.06  -0.01    -0.05  -0.01  -0.07
    15   1     0.00  -0.01  -0.03     0.02   0.01   0.01     0.01  -0.02  -0.01
    16   1     0.23   0.20   0.25    -0.02  -0.00  -0.02     0.27   0.23   0.29
    17   1    -0.23  -0.09   0.32     0.02  -0.01  -0.01    -0.27  -0.10   0.36
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1098.8470              1198.3654              1227.7695
 Red. masses --      2.5912                 2.6259                 3.0490
 Frc consts  --      1.8434                 2.2218                 2.7079
 IR Inten    --      0.9899                 4.2266                 2.4524
 RamAct Fr= 1--      1.5342                 7.4059                 9.1623
  Dep-P Fr= 1--      0.0853                 0.7313                 0.7319
  Dep-U Fr= 1--      0.1572                 0.8448                 0.8452
 Alpha2 Fr= 1--      0.0278                 0.0024                 0.0028
 Beta2  Fr= 1--      0.0402                 1.0428                 1.2907
 AlphaG Fr= 1--     -0.0002                 0.0001                 0.0002
 Gamma2 Fr= 1--     -0.0771                -0.1652                 0.6383
 Delta2 Fr= 1--     -0.1298                -0.0923                 0.2770
 Raman1 Fr= 1--       6.137                 29.624                 36.649
 ROA1   Fr= 1--     -11.557                -18.812                 70.142
 CID1   Fr= 1--      -1.883                 -0.635                  1.914
 Raman2 Fr= 1--       0.482                 12.513                 15.488
 ROA2   Fr= 1--      -0.812                 -3.226                 13.104
 CID2   Fr= 1--      -1.684                 -0.258                  0.846
 Raman3 Fr= 1--       0.965                 25.027                 30.976
 ROA3   Fr= 1--     -11.557                -18.812                 70.142
 CID3   Fr= 1--     -11.981                 -0.752                  2.264
 RC180  Fr= 1--      -0.686                  0.690                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.02    -0.10   0.12   0.25    -0.05   0.30  -0.17
     2   6    -0.01  -0.06  -0.04     0.02  -0.07  -0.05     0.04  -0.09  -0.05
     3   6     0.17   0.15   0.10    -0.02  -0.05  -0.07    -0.01  -0.07   0.01
     4   6    -0.05  -0.04  -0.01     0.03  -0.03  -0.10     0.01  -0.09   0.07
     5   6    -0.00  -0.03  -0.07     0.06  -0.08   0.01     0.03  -0.08   0.09
     6   1    -0.00   0.09   0.05     0.13   0.21   0.05    -0.21   0.23   0.23
     7   1     0.16   0.03   0.01     0.28   0.08  -0.03     0.07  -0.19   0.43
     8   1    -0.19   0.04   0.11    -0.07   0.21  -0.28    -0.23   0.16   0.04
     9   1    -0.23  -0.37   0.01    -0.00   0.03  -0.05     0.12   0.15   0.05
    10   1    -0.10  -0.21  -0.37     0.09   0.11   0.14    -0.02  -0.04   0.02
    11   1    -0.41  -0.08  -0.12     0.01  -0.05  -0.03    -0.04  -0.08  -0.02
    12   1     0.07   0.06  -0.00    -0.14   0.16   0.10     0.24  -0.25  -0.14
    13   1     0.18  -0.22  -0.08     0.05  -0.20   0.12     0.09   0.02  -0.21
    14   1    -0.01   0.14   0.07     0.19  -0.24   0.04    -0.15   0.19  -0.06
    15   1    -0.01  -0.02  -0.08    -0.07   0.00  -0.46     0.08  -0.08   0.19
    16   1     0.14   0.16   0.16    -0.11   0.24  -0.08    -0.07  -0.06  -0.01
    17   1    -0.19  -0.00   0.16    -0.15   0.18  -0.03     0.05   0.08  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1249.4453              1307.8614              1319.7708
 Red. masses --      3.7762                 1.3317                 1.3685
 Frc consts  --      3.4733                 1.3421                 1.4044
 IR Inten    --      6.5269                 2.0659                 8.3926
 RamAct Fr= 1--     10.0430                 3.9490                 1.4231
  Dep-P Fr= 1--      0.7498                 0.7146                 0.6534
  Dep-U Fr= 1--      0.8570                 0.8335                 0.7904
 Alpha2 Fr= 1--      0.0000                 0.0024                 0.0025
 Beta2  Fr= 1--      1.4345                 0.5486                 0.1875
 AlphaG Fr= 1--      0.0000                -0.0003                 0.0002
 Gamma2 Fr= 1--     -0.5041                 0.2634                -0.1042
 Delta2 Fr= 1--     -0.1529                 0.2899                -0.0570
 Raman1 Fr= 1--      40.172                 15.796                  5.692
 ROA1   Fr= 1--     -53.291                 34.563                -11.825
 CID1   Fr= 1--      -1.327                  2.188                 -2.077
 Raman2 Fr= 1--      17.214                  6.583                  2.250
 ROA2   Fr= 1--     -10.876                  4.002                 -2.044
 CID2   Fr= 1--      -0.632                  0.608                 -0.909
 Raman3 Fr= 1--      34.427                 13.167                  4.499
 ROA3   Fr= 1--     -53.291                 34.563                -11.825
 CID3   Fr= 1--      -1.548                  2.625                 -2.628
 RC180  Fr= 1--       0.714                  0.667                  0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.40   0.05   0.06    -0.05  -0.03   0.05     0.02  -0.04   0.06
     2   6    -0.13  -0.06   0.01     0.00  -0.02  -0.01     0.05   0.05  -0.11
     3   6    -0.12  -0.06  -0.05     0.01   0.01   0.00    -0.01   0.00  -0.02
     4   6    -0.14  -0.03  -0.02     0.01   0.02  -0.02     0.00   0.00  -0.02
     5   6    -0.09   0.01  -0.05    -0.01   0.05  -0.08     0.03   0.03  -0.01
     6   1     0.16   0.20   0.04     0.06   0.23   0.10    -0.21   0.04  -0.00
     7   1     0.06  -0.03   0.29    -0.01  -0.13   0.33    -0.09  -0.23   0.51
     8   1    -0.13   0.08  -0.15     0.07   0.23  -0.44    -0.07  -0.23   0.46
     9   1    -0.03   0.05  -0.04    -0.01  -0.03   0.00    -0.02  -0.00  -0.02
    10   1    -0.08  -0.02   0.02     0.01   0.01  -0.00     0.01   0.01   0.02
    11   1     0.17   0.05   0.07    -0.02   0.00  -0.01     0.02   0.00   0.01
    12   1     0.16   0.33   0.05    -0.07  -0.02   0.00    -0.05   0.09   0.06
    13   1     0.23  -0.28  -0.12    -0.00  -0.05   0.08    -0.06   0.02   0.04
    14   1     0.02   0.33   0.26     0.06  -0.11  -0.00     0.03   0.03   0.03
    15   1     0.06   0.08  -0.03     0.01  -0.15   0.66    -0.46  -0.24  -0.05
    16   1     0.10  -0.03   0.14     0.09  -0.16  -0.04     0.06  -0.12  -0.02
    17   1    -0.06  -0.00  -0.09     0.06  -0.11   0.01    -0.10   0.14   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.8139              1348.2939              1413.0775
 Red. masses --      1.3248                 1.4349                 1.2449
 Frc consts  --      1.3762                 1.5369                 1.4646
 IR Inten    --      3.5806                 2.7466                 4.7967
 RamAct Fr= 1--      3.3936                 2.4934                 0.2152
  Dep-P Fr= 1--      0.7431                 0.7489                 0.5914
  Dep-U Fr= 1--      0.8526                 0.8565                 0.7432
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0006
 Beta2  Fr= 1--      0.4822                 0.3559                 0.0267
 AlphaG Fr= 1--     -0.0001                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.2414                 0.1869                -0.0586
 Delta2 Fr= 1--     -0.2525                 0.0209                -0.0290
 Raman1 Fr= 1--      13.575                  9.974                  0.861
 ROA1   Fr= 1--     -31.256                 18.614                 -6.555
 CID1   Fr= 1--      -2.303                  1.866                 -7.614
 Raman2 Fr= 1--       5.787                  4.271                  0.320
 ROA2   Fr= 1--      -3.774                  4.319                 -1.175
 CID2   Fr= 1--      -0.652                  1.011                 -3.672
 Raman3 Fr= 1--      11.574                  8.542                  0.640
 ROA3   Fr= 1--     -31.256                 18.614                 -6.555
 CID3   Fr= 1--      -2.701                  2.179                -10.245
 RC180  Fr= 1--       0.705                  0.713                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05    -0.00   0.12   0.09    -0.01   0.02   0.01
     2   6     0.04   0.03  -0.07     0.01   0.00  -0.01     0.00  -0.01   0.01
     3   6     0.00   0.00  -0.01    -0.01  -0.03  -0.02     0.00   0.00   0.00
     4   6     0.01   0.00  -0.02    -0.02  -0.01  -0.02     0.06  -0.12  -0.04
     5   6    -0.07  -0.03  -0.01    -0.01   0.01  -0.06    -0.00   0.00  -0.01
     6   1    -0.13   0.03   0.00    -0.03  -0.22  -0.11     0.03  -0.02  -0.01
     7   1    -0.06  -0.15   0.31     0.12   0.19  -0.42    -0.03   0.02  -0.12
     8   1    -0.06  -0.12   0.27    -0.11  -0.20   0.44    -0.06   0.06  -0.00
     9   1    -0.01  -0.01  -0.01     0.01   0.01  -0.02     0.00  -0.01   0.00
    10   1     0.01   0.02   0.01     0.02   0.02   0.04     0.00  -0.00  -0.01
    11   1     0.00   0.00  -0.01    -0.01  -0.03  -0.02    -0.02  -0.01  -0.01
    12   1    -0.08   0.02   0.03     0.10  -0.02  -0.07    -0.18   0.39   0.35
    13   1    -0.02  -0.02   0.07     0.10  -0.15   0.00    -0.44   0.34   0.05
    14   1     0.02  -0.00   0.00     0.09  -0.10   0.08    -0.08   0.55   0.01
    15   1     0.69   0.38   0.03     0.04  -0.13   0.56     0.02  -0.02   0.12
    16   1    -0.10   0.19   0.02     0.05  -0.12  -0.03     0.02  -0.02  -0.00
    17   1     0.14  -0.22  -0.04     0.04  -0.05  -0.05     0.01  -0.02  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.5977              1498.3824              1501.0376
 Red. masses --      1.0752                 1.0528                 1.0585
 Frc consts  --      1.3757                 1.3926                 1.4052
 IR Inten    --      3.0499                 5.1165                 6.6096
 RamAct Fr= 1--      4.8106                 4.0993                 2.5622
  Dep-P Fr= 1--      0.7494                 0.7499                 0.7494
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.6869                 0.5856                 0.3659
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0099                -0.0323                 0.0294
 Delta2 Fr= 1--     -0.0258                 0.0008                 0.0413
 Raman1 Fr= 1--      19.242                 16.397                 10.249
 ROA1   Fr= 1--       0.129                 -3.076                  4.140
 CID1   Fr= 1--       0.007                 -0.188                  0.404
 Raman2 Fr= 1--       8.243                  7.027                  4.390
 ROA2   Fr= 1--       0.445                 -0.782                  0.374
 CID2   Fr= 1--       0.054                 -0.111                  0.085
 Raman3 Fr= 1--      16.486                 14.054                  8.781
 ROA3   Fr= 1--       0.129                 -3.076                  4.140
 CID3   Fr= 1--       0.008                 -0.219                  0.471
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00    -0.03  -0.02   0.01    -0.02   0.00  -0.04
     2   6    -0.07   0.01  -0.00     0.01   0.00  -0.00    -0.02   0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     4   6     0.01  -0.02   0.02    -0.04  -0.03   0.01    -0.02   0.00  -0.05
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
     6   1    -0.07   0.00  -0.00    -0.00   0.01   0.00    -0.03   0.01   0.01
     7   1     0.55   0.28   0.23    -0.02  -0.02   0.03     0.19   0.09   0.09
     8   1     0.46  -0.46  -0.10     0.00   0.02  -0.02     0.16  -0.15  -0.06
     9   1     0.00  -0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.01
    10   1     0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.01  -0.01
    11   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.01    -0.01  -0.00   0.00
    12   1    -0.07   0.10   0.11     0.58   0.40  -0.03     0.22  -0.20  -0.24
    13   1     0.07   0.06  -0.18    -0.13   0.37  -0.37    -0.32  -0.05   0.47
    14   1    -0.13  -0.03  -0.17     0.22  -0.34   0.20     0.36   0.21   0.49
    15   1     0.02   0.00   0.03     0.03   0.02  -0.00     0.00   0.01  -0.03
    16   1     0.00  -0.00  -0.00    -0.01   0.01  -0.01    -0.01   0.01   0.01
    17   1     0.01  -0.01  -0.00     0.01  -0.01   0.00     0.00   0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9775              2206.8607              2245.0428
 Red. masses --      2.1312                 2.1896                 2.2675
 Frc consts  --      5.9128                 6.2829                 6.7336
 IR Inten    --     15.1225                15.0858                13.6397
 RamAct Fr= 1--     69.0664                71.5308                59.5467
  Dep-P Fr= 1--      0.0015                 0.0602                 0.1695
  Dep-U Fr= 1--      0.0029                 0.1135                 0.2899
 Alpha2 Fr= 1--      1.5296                 1.3790                 0.8757
 Beta2  Fr= 1--      0.0338                 1.3536                 2.8774
 AlphaG Fr= 1--     -0.0000                -0.0003                 0.0001
 Gamma2 Fr= 1--     -0.0075                -0.3144                 0.5163
 Delta2 Fr= 1--     -0.0071                -0.2883                 0.4724
 Raman1 Fr= 1--     276.266                286.123                238.187
 ROA1   Fr= 1--      -0.951                -39.405                 64.686
 CID1   Fr= 1--      -0.003                 -0.138                  0.272
 Raman2 Fr= 1--       0.405                 16.244                 34.529
 ROA2   Fr= 1--      -0.124                 -5.239                  8.613
 CID2   Fr= 1--      -0.306                 -0.323                  0.249
 Raman3 Fr= 1--       0.810                 32.487                 69.058
 ROA3   Fr= 1--      -0.951                -39.405                 64.686
 CID3   Fr= 1--      -1.174                 -1.213                  0.937
 RC180  Fr= 1--      -0.994                 -0.773                 -0.420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.05   0.07  -0.14
     3   6    -0.07  -0.07  -0.05    -0.00  -0.01  -0.00     0.00  -0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.01    -0.01   0.04   0.13     0.00   0.00   0.01
     6   1    -0.01   0.01  -0.02    -0.02   0.02  -0.04     0.34  -0.43   0.81
     7   1    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.04   0.07   0.01
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.04  -0.04
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02    -0.00   0.01  -0.01
    10   1     0.44   0.13  -0.35     0.02   0.01  -0.02     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.02   0.04   0.01    -0.01   0.02   0.01
    12   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.00  -0.01
    13   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.00
    15   1     0.00  -0.01  -0.00    -0.05   0.09   0.03    -0.00   0.00   0.00
    16   1    -0.03  -0.01   0.03     0.52   0.15  -0.44     0.01   0.00  -0.01
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.03  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.2400              2284.5224              2285.8471
 Red. masses --      2.3740                 2.3766                 2.3789
 Frc consts  --      7.2918                 7.3079                 7.3235
 IR Inten    --      7.9497                16.3568                24.5656
 RamAct Fr= 1--     18.2732                37.2782                54.7983
  Dep-P Fr= 1--      0.7475                 0.7480                 0.7500
  Dep-U Fr= 1--      0.8555                 0.8558                 0.8571
 Alpha2 Fr= 1--      0.0008                 0.0013                 0.0000
 Beta2  Fr= 1--      2.6054                 5.3173                 7.8283
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      1.1134                -0.1154                -1.1607
 Delta2 Fr= 1--      1.0129                -0.1083                -1.0605
 Raman1 Fr= 1--      73.093                149.113                219.193
 ROA1   Fr= 1--     139.296                -14.545               -145.363
 CID1   Fr= 1--       1.906                 -0.098                 -0.663
 Raman2 Fr= 1--      31.265                 63.808                 93.940
 ROA2   Fr= 1--      18.618                 -1.903                -19.373
 CID2   Fr= 1--       0.595                 -0.030                 -0.206
 Raman3 Fr= 1--      62.529                127.616                187.880
 ROA3   Fr= 1--     139.296                -14.545               -145.363
 CID3   Fr= 1--       2.228                 -0.114                 -0.774
 RC180  Fr= 1--       0.711                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.05  -0.04   0.12     0.13  -0.14  -0.00    -0.04  -0.04   0.12
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6     0.11   0.07  -0.01     0.00   0.00  -0.00    -0.12  -0.07   0.01
     6   1    -0.01   0.01  -0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.01
     9   1    -0.17   0.19  -0.37    -0.17   0.20  -0.40    -0.17   0.20  -0.38
    10   1     0.40   0.11  -0.32    -0.24  -0.07   0.20     0.39   0.11  -0.31
    11   1     0.03  -0.07  -0.02    -0.36   0.68   0.21     0.02  -0.05  -0.01
    12   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
    16   1    -0.36  -0.10   0.31    -0.02  -0.00   0.01     0.37   0.11  -0.31
    17   1    -0.31  -0.30  -0.23    -0.00  -0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2528              3043.9580              3064.3715
 Red. masses --      1.0344                 1.0604                 1.0829
 Frc consts  --      5.5631                 5.7888                 5.9912
 IR Inten    --     34.5363                24.1395                29.3562
 RamAct Fr= 1--    138.3170               134.1827               109.3545
  Dep-P Fr= 1--      0.0011                 0.0715                 0.1779
  Dep-U Fr= 1--      0.0022                 0.1334                 0.3020
 Alpha2 Fr= 1--      3.0658                 2.5179                 1.5739
 Beta2  Fr= 1--      0.0511                 2.9827                 5.5040
 AlphaG Fr= 1--     -0.0001                -0.0006                 0.0007
 Gamma2 Fr= 1--      0.0776                -1.4030                 3.4110
 Delta2 Fr= 1--      0.0704                -1.2672                 3.1011
 Raman1 Fr= 1--     553.268                536.731                437.418
 ROA1   Fr= 1--       9.697               -175.236                426.689
 CID1   Fr= 1--       0.018                 -0.326                  0.975
 Raman2 Fr= 1--       0.613                 35.793                 66.048
 ROA2   Fr= 1--       1.298                -23.534                 57.055
 CID2   Fr= 1--       2.119                 -0.658                  0.864
 Raman3 Fr= 1--       1.225                 71.585                132.097
 ROA3   Fr= 1--       9.697               -175.236                426.689
 CID3   Fr= 1--       7.914                 -2.448                  3.230
 RC180  Fr= 1--      -0.996                 -0.733                 -0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00  -0.00     0.07  -0.01   0.01     0.01   0.01   0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.04  -0.07  -0.02
     6   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00   0.00  -0.00
     7   1     0.03  -0.05  -0.02    -0.33   0.60   0.19     0.00  -0.00   0.00
     8   1     0.04   0.04   0.03    -0.44  -0.43  -0.31    -0.09  -0.09  -0.06
     9   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.21  -0.25   0.47     0.03  -0.04   0.07    -0.00   0.00  -0.01
    13   1    -0.37  -0.35  -0.26    -0.02  -0.02  -0.01    -0.02  -0.02  -0.01
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03     0.03   0.01  -0.03
    15   1     0.01  -0.02  -0.01     0.04  -0.08  -0.02    -0.47   0.84   0.23
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.7801              3083.6539              3085.3512
 Red. masses --      1.1023                 1.1016                 1.1013
 Frc consts  --      6.1680                 6.1720                 6.1767
 IR Inten    --     18.0109                33.4699                56.1511
 RamAct Fr= 1--     35.2236                69.0015               107.2122
  Dep-P Fr= 1--      0.7342                 0.7500                 0.7488
  Dep-U Fr= 1--      0.8467                 0.8571                 0.8563
 Alpha2 Fr= 1--      0.0095                 0.0001                 0.0023
 Beta2  Fr= 1--      4.9708                 9.8570                15.3015
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -8.7397                 1.6953                 4.9153
 Delta2 Fr= 1--     -7.9804                 1.5516                 4.4997
 Raman1 Fr= 1--     140.894                276.006                428.849
 ROA1   Fr= 1--   -1094.381                212.401                615.863
 CID1   Fr= 1--      -7.767                  0.770                  1.436
 Raman2 Fr= 1--      59.650                118.284                183.618
 ROA2   Fr= 1--    -145.909                 28.275                 81.971
 CID2   Fr= 1--      -2.446                  0.239                  0.446
 Raman3 Fr= 1--     119.300                236.568                367.236
 ROA3   Fr= 1--   -1094.381                212.401                615.863
 CID3   Fr= 1--      -9.173                  0.898                  1.677
 RC180  Fr= 1--       0.693                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.06  -0.03    -0.00  -0.00  -0.00    -0.01  -0.06  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.06   0.03   0.02     0.01   0.03  -0.08    -0.06  -0.03  -0.02
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   1    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
     7   1    -0.25   0.43   0.13    -0.00   0.00   0.00    -0.24   0.40   0.12
     8   1     0.32   0.29   0.21     0.02   0.02   0.01     0.34   0.31   0.22
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.08   0.12  -0.20     0.28  -0.34   0.60     0.07  -0.11   0.18
    13   1    -0.36  -0.36  -0.26     0.06   0.06   0.02     0.36   0.36   0.26
    14   1    -0.24  -0.06   0.21    -0.51  -0.13   0.40     0.26   0.07  -0.23
    15   1    -0.03   0.06   0.02    -0.02   0.03   0.01    -0.04   0.07   0.02
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   2.01410
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   451.50557 467.82407 499.66785
           X            0.44377   0.59349  -0.67145
           Y            0.15573   0.68680   0.70997
           Z            0.88251  -0.41963   0.21235
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19183     0.18514     0.17334
 Rotational constants (GHZ):           3.99716     3.85773     3.61188
 Zero-point vibrational energy     366683.3 (Joules/Mol)
                                   87.63941 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    233.00   297.25   330.64   381.81   432.84
          (Kelvin)            437.36   539.05   549.01   560.98   979.14
                             1076.96  1113.06  1163.28  1195.42  1234.54
                             1325.49  1425.60  1468.99  1547.20  1551.38
                             1558.27  1581.00  1724.18  1766.49  1797.67
                             1881.72  1898.86  1910.43  1939.89  2033.10
                             2120.18  2155.84  2159.66  3122.11  3175.18
                             3230.12  3285.07  3286.92  3288.82  4346.91
                             4379.58  4408.95  4433.99  4436.69  4439.13
 
 Zero-point correction=                           0.139662 (Hartree/Particle)
 Thermal correction to Energy=                    0.147314
 Thermal correction to Enthalpy=                  0.148258
 Thermal correction to Gibbs Free Energy=         0.109602
 Sum of electronic and zero-point Energies=           -197.732195
 Sum of electronic and thermal Energies=              -197.724543
 Sum of electronic and thermal Enthalpies=            -197.723599
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.041             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.663             23.079             16.216
 Vibration     1          0.622              1.889              2.527
 Vibration     2          0.641              1.830              2.074
 Vibration     3          0.652              1.795              1.880
 Vibration     4          0.671              1.737              1.626
 Vibration     5          0.693              1.672              1.412
 Vibration     6          0.695              1.666              1.395
 Vibration     7          0.746              1.524              1.061
 Vibration     8          0.751              1.509              1.033
 Vibration     9          0.758              1.492              1.001
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385842D-50        -50.413590       -116.081581
 Total V=0       0.670726D+14         13.826545         31.836797
 Vib (Bot)       0.122224D-62        -62.912843       -144.862174
 Vib (Bot)    1  0.124763D+01          0.096086          0.221246
 Vib (Bot)    2  0.962662D+00         -0.016526         -0.038053
 Vib (Bot)    3  0.857142D+00         -0.066947         -0.154152
 Vib (Bot)    4  0.729981D+00         -0.136688         -0.314737
 Vib (Bot)    5  0.631853D+00         -0.199384         -0.459098
 Vib (Bot)    6  0.624218D+00         -0.204664         -0.471256
 Vib (Bot)    7  0.484386D+00         -0.314809         -0.724873
 Vib (Bot)    8  0.473313D+00         -0.324852         -0.747998
 Vib (Bot)    9  0.460483D+00         -0.336786         -0.775479
 Vib (V=0)       0.212467D+02          1.327292          3.056204
 Vib (V=0)    1  0.184409D+01          0.265782          0.611987
 Vib (V=0)    2  0.158477D+01          0.199965          0.460437
 Vib (V=0)    3  0.149232D+01          0.173861          0.400330
 Vib (V=0)    4  0.138480D+01          0.141387          0.325556
 Vib (V=0)    5  0.130575D+01          0.115861          0.266780
 Vib (V=0)    6  0.129978D+01          0.113870          0.262195
 Vib (V=0)    7  0.119615D+01          0.077787          0.179111
 Vib (V=0)    8  0.118849D+01          0.074997          0.172688
 Vib (V=0)    9  0.117974D+01          0.071786          0.165293
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116294D+06          5.065559         11.663881
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 111 1111 1                                          
   000000                            2222 21                          544 4 3333 221 0000 0 9  9 888 77 6          333 33 222 1      
   888642                            8884 07                          097 1 4220 429 9877 2 9  2 530 74 8          987 00 630 6      
   542441                            6535 70                          184 3 8808 988 9385 1 1  1 819 49 1          025 41 507 2      
 
   XXXXXX                            XXXX XX                          XXX X XXXX XXX XXXX X X  X XXX XX            X X               
   XXXXXX                            XXXX XX                          XX  X   X  X X  X                                              
   XXXXXX                            XXXX XX                                  X                                                      
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX                                                                                              
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX X X                                                                                                                            
   XX   X                                                                                                                            
   XX   X                                                                                                                            
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.739953D-04  0.346379D-03
      2   0.739953D-04  0.660159D+02 -0.259312D-03
      3   0.346379D-03 -0.259312D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.615534D-03  0.229365D-02 -0.246227D-03
      2  -0.262878D-02  0.169083D-03 -0.916987D-04
      3  -0.819157D-03  0.838734D-03  0.199939D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.401077D+00  0.203968D-01  0.145160D+01
      2   0.184180D+01 -0.112994D+01 -0.529484D+00
      3  -0.144073D+01  0.110954D+01 -0.922114D+00
      4   0.188588D-01  0.184194D+01  0.195452D+01
      5   0.145213D+01  0.195454D+01 -0.143879D+01
      6   0.195494D+01 -0.528523D+00  0.110697D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105782D+01  0.710120D-01  0.387925D+01  0.694609D-01  0.491265D+01
      2   0.710120D-01  0.491127D+01  0.523020D+01  0.491265D+01 -0.301864D+01
      3   0.387925D+01  0.523020D+01 -0.384760D+01  0.522114D+01 -0.142348D+01
                 6             7             8             9            10 
      1   0.522114D+01  0.387446D+01  0.522395D+01 -0.384390D+01 -0.908322D+00
      2  -0.142348D+01  0.522395D+01 -0.142280D+01  0.295159D+01 -0.872778D-01
      3   0.295264D+01 -0.384390D+01  0.295159D+01 -0.244711D+01 -0.267998D+01
                11            12            13            14            15 
      1  -0.872778D-01 -0.267998D+01  0.188528D+00 -0.472570D+01 -0.402771D+01
      2  -0.371499D+01 -0.403009D+01 -0.472570D+01  0.140862D+01  0.200058D+01
      3  -0.403009D+01  0.328571D+01 -0.402771D+01  0.200058D+01 -0.198766D+01
                16            17            18            19            20 
      1  -0.350865D+01 -0.402797D+01  0.227673D+01  0.244853D+01  0.316666D+00
      2  -0.402797D+01  0.116859D+01 -0.226839D+01  0.316666D+00 -0.396904D+01
      3   0.227673D+01 -0.226839D+01  0.344140D+01 -0.253135D+01 -0.424212D+01
                21            22            23            24            25 
      1  -0.253135D+01 -0.503081D+00 -0.310684D+01 -0.423975D+01 -0.313174D+01
      2  -0.424212D+01 -0.310684D+01  0.385073D+01  0.133268D+01 -0.424033D+01
      3   0.264741D+01 -0.423975D+01  0.133268D+01 -0.224950D+01  0.350830D+01
                26            27            28            29            30 
      1  -0.424033D+01  0.350830D+01  0.223645D+01 -0.971715D+00 -0.307124D+01
      2   0.724866D+00 -0.142591D+01 -0.971715D+00 -0.426832D+01 -0.403415D+01
      3  -0.142591D+01  0.320530D+01 -0.307124D+01 -0.403415D+01  0.285611D+01
                31            32            33            34            35 
      1   0.158979D+00 -0.363959D+01 -0.403530D+01 -0.273619D+01 -0.403491D+01
      2  -0.363959D+01  0.625921D+00  0.107339D+01 -0.403491D+01  0.141182D+01
      3  -0.403530D+01  0.107339D+01 -0.227800D+01  0.348995D+01 -0.341139D+01
                36            37            38            39            40 
      1   0.348995D+01 -0.448465D+00  0.544076D+00 -0.389617D+01 -0.428286D-01
      2  -0.341139D+01  0.544076D+00 -0.347793D+01 -0.411752D+01 -0.396566D+01
      3   0.870165D+00 -0.389617D+01 -0.411752D+01  0.329556D+01 -0.411473D+01
                41            42            43            44            45 
      1  -0.396566D+01 -0.411473D+01 -0.279787D+01 -0.411663D+01  0.280400D+01
      2   0.357869D+01  0.602797D-01 -0.411663D+01  0.116270D+01 -0.217421D+01
      3   0.602797D-01 -0.276678D+01  0.280400D+01 -0.217421D+01  0.175641D+00
                46            47            48            49            50 
      1  -0.734050D+00  0.460730D+00 -0.660130D+00  0.680194D+00  0.274848D+00
      2   0.460730D+00 -0.513074D+00  0.102650D+01  0.274848D+00  0.187826D+01
      3  -0.660130D+00  0.102650D+01 -0.222743D+01  0.362005D+00 -0.215545D+01
                51            52            53            54            55 
      1   0.362005D+00 -0.997619D+00  0.407063D+00 -0.357972D+00  0.329435D+01
      2  -0.215545D+01  0.407063D+00 -0.203638D+01  0.259633D+01 -0.187520D+01
      3   0.279618D+01 -0.357972D+00  0.259633D+01 -0.722307D+01 -0.106797D+01
                56            57            58            59            60 
      1  -0.187520D+01 -0.106797D+01 -0.326833D+01  0.287278D+01  0.180161D+01
      2   0.212730D+01  0.106994D+01  0.287278D+01 -0.451605D+01 -0.175474D+01
      3   0.106994D+01  0.844858D+00  0.180161D+01 -0.175474D+01 -0.190421D+01
                61            62            63            64            65 
      1  -0.695321D+00  0.996797D+00  0.963470D+00  0.508141D+01  0.247631D+01
      2   0.996797D+00 -0.111557D+01 -0.954768D+00  0.247631D+01  0.243212D+01
      3   0.963470D+00 -0.954768D+00 -0.175962D+01  0.854808D+00  0.728282D+00
                66            67            68            69            70 
      1   0.854808D+00  0.309044D+01  0.290849D+01  0.661218D+00  0.247626D+01
      2   0.728282D+00  0.290849D+01  0.316925D+01  0.374768D+00  0.141735D+01
      3   0.777702D+00  0.661218D+00  0.374768D+00  0.118784D+01  0.796489D+00
                71            72            73            74            75 
      1   0.141735D+01  0.796489D+00 -0.236454D+01  0.322147D+00 -0.170801D+01
      2   0.127621D+01  0.997895D+00  0.322147D+00 -0.241718D+00  0.661547D+00
      3   0.997895D+00  0.914012D+00 -0.170801D+01  0.661547D+00 -0.225591D+01
                76            77            78            79            80 
      1   0.134252D+01 -0.339840D+00  0.138850D+01 -0.216476D+01  0.584601D+00
      2  -0.339840D+00  0.832798D+00 -0.121000D+01  0.584601D+00 -0.139673D+01
      3   0.138850D+01 -0.121000D+01  0.234583D+01 -0.298743D+01  0.885075D+00
                81            82            83            84            85 
      1  -0.298743D+01 -0.623215D+01 -0.196695D+01  0.195317D+01 -0.121187D+01
      2   0.885075D+00 -0.196695D+01 -0.135064D+01  0.866379D+00 -0.111984D+01
      3  -0.653184D+01  0.195317D+01  0.866379D+00 -0.187995D+01  0.807219D+00
                86            87            88            89            90 
      1  -0.111984D+01  0.807219D+00  0.354617D+01  0.156373D+01 -0.209512D+01
      2  -0.157689D+01  0.503704D+00  0.156373D+01  0.137812D+01 -0.629714D+00
      3   0.503704D+00 -0.301106D+00 -0.209512D+01 -0.629714D+00  0.191749D+01
                91            92            93            94            95 
      1   0.106332D+01 -0.124281D+01 -0.223175D+00 -0.137771D+01  0.117255D+01
      2  -0.124281D+01  0.302054D+01  0.122036D+01  0.117255D+01 -0.758122D+01
      3  -0.223175D+00  0.122036D+01  0.783586D+00  0.555181D+00 -0.221327D+01
                96            97            98            99           100 
      1   0.555181D+00 -0.155432D+00  0.600921D+00  0.149580D-01 -0.209128D+01
      2  -0.221327D+01  0.600921D+00 -0.169252D+01 -0.141334D+01  0.146938D+01
      3  -0.155855D+01  0.149580D-01 -0.141334D+01 -0.155022D+01 -0.102243D+01
               101           102           103           104           105 
      1   0.146938D+01 -0.102243D+01  0.109846D+01 -0.105472D+01  0.108857D+01
      2  -0.108108D+01  0.115076D+01 -0.105472D+01  0.308098D+01 -0.181724D+01
      3   0.115076D+01 -0.152481D+01  0.108857D+01 -0.181724D+01  0.180574D+01
               106           107           108           109           110 
      1  -0.186158D+01  0.184789D+01 -0.194756D+01  0.210289D+01  0.178458D+01
      2   0.184789D+01 -0.338089D+01  0.259786D+01  0.178458D+01  0.362548D+01
      3  -0.194756D+01  0.259786D+01 -0.414418D+01  0.129555D+01  0.165854D+01
               111           112           113           114           115 
      1   0.129555D+01  0.140772D+01  0.180496D+01  0.996516D+00  0.124339D+01
      2   0.165854D+01  0.180496D+01  0.492860D+01  0.184261D+01  0.104043D+01
      3   0.133623D+01  0.996516D+00  0.184261D+01  0.174112D+01  0.598874D+00
               116           117           118           119           120 
      1   0.104043D+01  0.598874D+00 -0.559659D+01  0.631562D+00  0.303474D+01
      2   0.223588D+01  0.214358D+01  0.631562D+00 -0.907188D+00  0.135347D-01
      3   0.214358D+01  0.206820D+01  0.303474D+01  0.135347D-01 -0.277728D+01
               121           122           123           124           125 
      1  -0.869560D+00 -0.366048D+00  0.739154D+00  0.325599D+01 -0.623350D-01
      2  -0.366048D+00 -0.334050D+00  0.450040D+00 -0.623350D-01  0.944225D+00
      3   0.739154D+00  0.450040D+00 -0.421050D+00 -0.287592D+01  0.639867D+00
               126           127           128           129           130 
      1  -0.287592D+01  0.248242D+01 -0.222037D+01  0.498360D+00 -0.236866D+01
      2   0.639867D+00 -0.222037D+01  0.290318D+01  0.144185D+00  0.307664D+01
      3   0.335598D+01  0.498360D+00  0.144185D+00  0.483992D+00  0.784197D-01
               131           132           133           134           135 
      1   0.307664D+01  0.784197D-01 -0.439796D+00  0.837618D+00  0.201116D+00
      2  -0.682450D+01  0.402974D+00  0.837618D+00 -0.125507D+01 -0.571650D+00
      3   0.402974D+00 -0.115178D+01  0.201116D+00 -0.571650D+00 -0.446364D+00
               136           137           138           139           140 
      1  -0.319269D+01 -0.969583D+00  0.265694D+01 -0.640675D+00 -0.467218D+00
      2  -0.969583D+00 -0.118648D+01  0.153878D+01 -0.467218D+00 -0.137370D+01
      3   0.265694D+01  0.153878D+01 -0.408280D+01  0.872165D+00  0.121101D+01
               141           142           143           144           145 
      1   0.872165D+00  0.207990D+01  0.916680D+00 -0.227935D+01  0.391653D+01
      2   0.121101D+01  0.916680D+00  0.107622D+01 -0.120360D+01  0.125745D+01
      3  -0.886764D+00 -0.227935D+01 -0.120360D+01  0.495957D+01  0.268764D+01
               146           147           148           149           150 
      1   0.125745D+01  0.268764D+01  0.224640D+01  0.176253D+01  0.184578D+01
      2   0.169057D+01  0.111487D+01  0.176253D+01  0.187120D+01  0.132215D+01
      3   0.111487D+01  0.228463D+01  0.184578D+01  0.132215D+01  0.267605D+01
               151           152           153 
      1   0.201279D+01  0.104515D+01  0.173336D+01
      2   0.104515D+01  0.921315D+00  0.124079D+01
      3   0.173336D+01  0.124079D+01  0.319464D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114860D-01  0.488384D-03  0.462745D-02  0.765551D-03 -0.153472D-01
      2   0.876091D-02  0.127640D-01  0.490743D+01  0.138272D-01  0.383881D-02
      3  -0.223117D-01 -0.490456D+01 -0.469560D-02  0.490958D+01 -0.215914D-01
                 6             7             8             9            10 
      1  -0.490584D+01  0.178703D-01  0.490501D+01 -0.753419D-02  0.114234D+01
      2   0.731132D-02 -0.490462D+01 -0.725841D-02  0.541779D-02 -0.674842D+01
      3  -0.389314D-02  0.439014D-02 -0.468019D-02 -0.123189D-01 -0.904369D+00
                11            12            13            14            15 
      1   0.658044D+01  0.359279D+01  0.821302D+01 -0.182202D+01 -0.424987D+01
      2  -0.602736D+01  0.335545D+01 -0.557813D+01 -0.264090D+01 -0.762277D+01
      3   0.413579D+01  0.488456D+01  0.982233D+01 -0.310098D+01 -0.556938D+01
                16            17            18            19            20 
      1   0.414781D+01  0.806917D+00  0.698965D+00 -0.313550D+01 -0.198298D+01
      2  -0.351152D+01 -0.817141D+01  0.937360D+01  0.626395D+01  0.601327D+01
      3   0.443092D+01 -0.394417D+01  0.402301D+01 -0.408705D+01 -0.716019D+01
                21            22            23            24            25 
      1   0.717050D+01 -0.299334D+01 -0.287930D+01 -0.535735D+01  0.854738D+01
      2  -0.358848D+01  0.504724D+01 -0.415768D+01 -0.150719D+01 -0.929033D+01
      3  -0.287591D+01 -0.847015D+00  0.977399D+01  0.715211D+01 -0.190869D+01
                26            27            28            29            30 
      1   0.230464D+00  0.600650D+01  0.432531D+01  0.447708D+01 -0.696024D+01
      2  -0.288579D+01 -0.212257D+01  0.111678D+01  0.450168D+01  0.545864D+00
      3   0.614475D+01 -0.566190D+01  0.433452D+01 -0.851269D+01 -0.882634D+01
                31            32            33            34            35 
      1   0.489003D+01 -0.228433D+01  0.325206D+01 -0.834218D+01  0.951222D+01
      2   0.376106D+01  0.762288D+00  0.449105D+01 -0.401037D+01  0.587162D+01
      3  -0.170157D+01 -0.681057D+01 -0.565472D+01 -0.808683D+01 -0.523996D+01
                36            37            38            39            40 
      1  -0.202268D+01 -0.231660D+01 -0.906567D+01 -0.382255D+01 -0.100996D+02
      2  -0.186391D+01 -0.643377D+00 -0.450582D+01  0.114285D+02 -0.325311D+01
      3   0.247190D+01  0.674697D+00 -0.209303D+00  0.682390D+01  0.447729D+01
                41            42            43            44            45 
      1   0.700102D+01 -0.539321D+01 -0.437939D+01  0.118695D+01 -0.468734D+01
      2   0.603283D+01  0.465119D+01  0.506948D+01  0.520390D+01 -0.540060D+01
      3   0.146514D+00  0.406314D+01  0.557722D+01  0.303783D+01 -0.823449D+00
                46            47            48            49            50 
      1  -0.297974D+00  0.896397D+00  0.924525D-01 -0.370985D+00 -0.213945D+01
      2  -0.275537D+01  0.174125D+01 -0.237214D+01  0.268400D+01 -0.243694D+01
      3  -0.140661D+01 -0.543011D-01 -0.144610D+01  0.141251D+01 -0.198655D+01
                51            52            53            54            55 
      1  -0.643065D-01 -0.406639D+00  0.397368D+01  0.673639D+00  0.249407D+01
      2   0.433098D+01 -0.504961D+01  0.421465D+01 -0.977621D+01  0.246434D+01
      3   0.278317D+01 -0.223856D+01  0.278814D+01 -0.382090D+01  0.271091D+01
                56            57            58            59            60 
      1  -0.371871D+01 -0.751156D+00 -0.350981D+01  0.678975D+01  0.745722D-01
      2  -0.583389D+00  0.156728D+01 -0.195683D+01  0.920829D+00 -0.183394D+01
      3  -0.558233D+01 -0.189439D+01 -0.244315D+01  0.884078D+01  0.259229D+01
                61            62            63            64            65 
      1  -0.153053D+01  0.278300D+01  0.100219D+01 -0.317911D+01 -0.288360D+01
      2  -0.770354D+00  0.477340D-01 -0.155141D+01  0.616458D+01  0.406375D+01
      3  -0.139364D+01  0.264569D+01  0.150633D+01 -0.498118D+00 -0.460569D+01
                66            67            68            69            70 
      1  -0.245511D+01 -0.325855D+01 -0.308058D+01 -0.295356D+01 -0.166675D+01
      2   0.454101D+01  0.409994D+01  0.379890D+01  0.410536D+01  0.224650D+01
      3  -0.898383D+00 -0.867103D+00 -0.418278D+01 -0.517946D+00 -0.208503D+00
                71            72            73            74            75 
      1  -0.804331D+00 -0.225586D+01 -0.204714D+01  0.196971D+01 -0.323680D+01
      2   0.281746D+01  0.316805D+01 -0.735208D+00 -0.629104D+00  0.276538D+01
      3  -0.201140D+01 -0.116127D+01  0.242572D+01 -0.200860D+01  0.265497D+01
                76            77            78            79            80 
      1   0.143035D+01 -0.309572D+01  0.242876D+01 -0.361109D+01  0.534777D+01
      2   0.504923D+00  0.123618D+01 -0.205030D+01 -0.962852D+00 -0.918360D+00
      3  -0.481139D+00  0.198321D+01 -0.265606D+01  0.258149D+01 -0.375058D+01
                81            82            83            84            85 
      1  -0.738624D+01  0.390706D+01  0.117515D+01 -0.391943D+01  0.175676D+01
      2   0.600145D+01 -0.635912D+01 -0.245324D+01  0.680951D+01 -0.202133D+01
      3   0.454445D+01  0.509803D+01 -0.186179D+01 -0.143992D+01  0.137575D+01
                86            87            88            89            90 
      1   0.128980D+01 -0.174469D+01 -0.328549D+01 -0.137062D-01  0.330619D+01
      2  -0.132414D+01  0.167325D+01  0.359444D+01  0.153470D+01 -0.545851D+01
      3  -0.101910D+01 -0.454801D+00 -0.259435D+01  0.124355D+01  0.175963D+01
                91            92            93            94            95 
      1   0.854324D+00 -0.142063D+01  0.941200D+00 -0.574735D+00  0.432012D+01
      2   0.164111D+01 -0.214563D+01  0.171260D+00 -0.286459D+01  0.368752D+01
      3  -0.393944D+01  0.344641D+01  0.129820D+01  0.646398D+01 -0.946089D+01
                96            97            98            99           100 
      1  -0.268527D+01 -0.531788D+00  0.109227D+01 -0.114726D+01  0.202907D+01
      2   0.169034D+01 -0.121189D+01  0.190974D+01  0.132638D+01  0.926604D+00
      3  -0.310168D+01  0.167056D+01 -0.282151D+01 -0.140162D+01 -0.225705D+01
               101           102           103           104           105 
      1  -0.176627D+01  0.387903D+01 -0.230593D+01  0.317627D+01 -0.551853D+01
      2  -0.155628D+01  0.309132D+01 -0.783956D+00  0.202829D+01 -0.289672D+01
      3  -0.116242D+00 -0.448107D+00  0.235268D+01  0.135031D+01  0.291550D+00
               106           107           108           109           110 
      1   0.349866D+01 -0.269347D+01  0.909051D+01 -0.128383D+01 -0.663112D-01
      2   0.202634D+00 -0.266247D+01  0.552984D+01 -0.295710D+01 -0.199543D+01
      3  -0.243464D+01 -0.966456D+00 -0.837696D+00  0.624538D+01  0.362897D+01
               111           112           113           114           115 
      1  -0.245656D+01 -0.908054D+00  0.757628D-01 -0.391246D+01 -0.501897D+00
      2  -0.242531D+00 -0.255348D+01 -0.244768D+01 -0.134467D+01 -0.253571D+01
      3   0.327230D+01  0.626400D+01  0.598500D+01  0.334573D+01  0.416815D+01
               116           117           118           119           120 
      1  -0.662011D+00 -0.280326D+01 -0.448285D+01 -0.203985D+01  0.460744D+01
      2  -0.203898D+01 -0.124680D+01  0.108202D+01 -0.362018D+00  0.332276D+01
      3   0.307521D+01  0.256558D+01 -0.777821D+01 -0.274627D+01  0.482693D+01
               121           122           123           124           125 
      1  -0.102604D+01 -0.125375D+01 -0.403191D-01  0.424702D+01  0.172209D+01
      2   0.824138D-01 -0.246277D+00  0.339376D+00 -0.837283D+00 -0.405918D+00
      3  -0.496340D+00 -0.139104D+01  0.126902D+01  0.526370D+01  0.243536D+01
               126           127           128           129           130 
      1  -0.455247D+01 -0.276385D+01  0.480987D+01  0.199507D+01  0.469289D+01
      2  -0.267760D+01 -0.295837D+01  0.324481D+01  0.127867D+01  0.365834D+01
      3  -0.386270D+01 -0.149952D+01 -0.165506D+01 -0.503886D+00  0.249209D+01
               131           132           133           134           135 
      1  -0.963699D+01 -0.376689D+01  0.111561D+01 -0.119573D+01 -0.190474D+01
      2  -0.450500D+01 -0.238424D+01 -0.177544D+00 -0.134733D+01 -0.102255D+01
      3   0.301138D+01 -0.203468D+00  0.295631D+00  0.401842D+00  0.236268D+00
               136           137           138           139           140 
      1   0.732550D+00 -0.193787D+01 -0.144439D+01  0.163823D+00 -0.137932D+01
      2   0.827303D+01  0.205612D+01 -0.417185D+01  0.221514D+01  0.120733D+01
      3   0.389074D+01 -0.496895D+00 -0.278545D+01  0.176020D+01  0.672662D+00
               141           142           143           144           145 
      1  -0.182071D+00 -0.466706D+00  0.266171D+01  0.243531D+01  0.403361D+01
      2  -0.181162D+01 -0.724585D+01 -0.217715D+01  0.549437D+01 -0.478359D+01
      3  -0.134596D+01 -0.310062D+01 -0.518597D+00  0.265442D+01 -0.298665D+01
               146           147           148           149           150 
      1   0.497276D+01  0.276314D+01  0.389878D+01  0.493407D+01  0.201197D+01
      2  -0.137537D+01 -0.402428D+00 -0.305548D+01 -0.191939D+01  0.162574D+00
      3  -0.430430D+01 -0.263729D+01 -0.148435D+01 -0.379122D+01 -0.198878D+01
               151           152           153 
      1   0.314743D+01  0.415424D+01  0.355369D+01
      2  -0.361484D+01 -0.984290D+00  0.220723D+00
      3  -0.202622D+01 -0.251500D+01 -0.217974D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.534298D+01 -0.300196D+01  0.274332D+01 -0.299646D+01 -0.224927D+01
      2  -0.225608D+01  0.320190D+01 -0.128561D+01  0.320206D+01  0.254644D+01
      3  -0.308689D+01 -0.199939D+00 -0.145771D+01 -0.205597D+00 -0.297162D+00
      4  -0.301081D+01 -0.176467D+01 -0.849306D+00 -0.175423D+01  0.321978D+01
      5   0.272629D+01 -0.854414D+00 -0.260267D+01 -0.862147D+00 -0.127784D+01
      6  -0.854976D+00 -0.129720D+01 -0.203403D+00 -0.128083D+01 -0.376884D+01
                 6             7             8             9            10 
      1  -0.854062D+00  0.273797D+01 -0.842063D+00 -0.308999D+01 -0.605718D+01
      2  -0.375962D+01 -0.127870D+01 -0.375760D+01 -0.290249D+00 -0.349016D+01
      3   0.461368D+01 -0.145927D+01  0.459966D+01  0.338024D+01  0.954734D+01
      4  -0.127870D+01 -0.844653D+00 -0.129227D+01 -0.220039D+00 -0.152384D+01
      5  -0.203538D+00 -0.259283D+01 -0.207527D+00 -0.146950D+01 -0.553312D+01
      6   0.207694D+00 -0.216821D+00  0.196556D+00  0.460869D+01 -0.401547D+01
                11            12            13            14            15 
      1  -0.446855D+01 -0.176512D+01 -0.440951D+01 -0.834618D+01 -0.142531D+02
      2  -0.618852D+01  0.353099D+01 -0.540144D+01  0.500569D+01  0.173528D+01
      3   0.106571D+02 -0.176587D+01  0.981095D+01  0.334049D+01  0.125178D+02
      4  -0.128036D+02 -0.100100D+02 -0.140730D+02  0.239574D+01  0.180996D+01
      5  -0.863232D+01  0.591692D+01 -0.955418D+01  0.711723D+01  0.306310D+01
      6   0.418371D+01  0.878386D+01  0.500366D+01 -0.381540D+01 -0.736106D+01
                16            17            18            19            20 
      1  -0.279654D+01 -0.144957D+02  0.139727D+02 -0.904960D+01 -0.934283D+01
      2   0.296407D+01  0.223404D+01 -0.100632D+01  0.276027D+01  0.664117D+01
      3  -0.167532D+00  0.122616D+02 -0.129664D+02  0.628932D+01  0.270166D+01
      4  -0.111769D+02  0.442855D+00 -0.114508D+01 -0.419953D+01  0.141643D+01
      5   0.596427D+01  0.230980D+01 -0.743867D+00  0.506089D+01  0.714332D+01
      6   0.717934D+01 -0.713759D+01  0.807502D+01  0.640938D+01  0.110101D+02
                21            22            23            24            25 
      1   0.525048D+01 -0.880291D+01  0.141499D+02  0.928804D+01  0.634090D+01
      2   0.888235D+01  0.490214D+01 -0.146577D+02 -0.113080D+02  0.799756D+01
      3  -0.141328D+02  0.390077D+01  0.507804D+00  0.201994D+01 -0.143385D+02
      4   0.109381D+02  0.227195D+01  0.316649D+01  0.468523D+01  0.119897D+02
      5  -0.632295D+01  0.753091D+01  0.393099D+01  0.825666D+01 -0.759791D+01
      6   0.206942D+00  0.971758D+01 -0.768921D+01 -0.179801D+01 -0.942975D-01
                26            27            28            29            30 
      1   0.995224D+01 -0.524060D+01 -0.345298D+01  0.746791D+01  0.111238D+02
      2  -0.109232D+02  0.118060D+02  0.492258D+01 -0.956877D+01 -0.170453D+02
      3   0.970919D+00 -0.656536D+01 -0.146960D+01  0.210086D+01  0.592153D+01
      4   0.509808D+01  0.328206D+00  0.259471D+01 -0.107898D+01 -0.221854D+01
      5   0.675916D+01 -0.949801D+01  0.675279D+01  0.301125D+01 -0.106977D+02
      6  -0.118273D+01  0.798955D+00 -0.556850D+01 -0.134764D+02  0.432968D+01
                31            32            33            34            35 
      1   0.687183D+01  0.561820D+01  0.594220D+01  0.114501D+02  0.502683D+01
      2  -0.845327D+01 -0.278558D+01 -0.484980D+00 -0.168833D+02 -0.172968D+00
      3   0.158143D+01 -0.283263D+01 -0.545722D+01  0.543324D+01 -0.485387D+01
      4  -0.206551D+00 -0.103370D+02 -0.114574D+02 -0.143148D+01 -0.123942D+02
      5   0.471492D+01 -0.670415D+01  0.818664D+00 -0.110032D+02  0.227406D+01
      6  -0.123759D+02  0.217449D+01 -0.898395D+01  0.526510D+01 -0.100625D+02
                36            37            38            39            40 
      1  -0.195520D+01  0.280540D+01  0.183156D+01 -0.104692D+02  0.181301D+01
      2  -0.281604D+01  0.431048D+01  0.139806D+02  0.269432D+01  0.138226D+02
      3   0.477124D+01 -0.711588D+01 -0.158122D+02  0.777488D+01 -0.156356D+02
      4   0.844694D+01 -0.138896D+01 -0.801987D+01  0.120889D-01 -0.849737D+01
      5   0.156785D+00 -0.212926D+01 -0.279246D+01 -0.106350D+02 -0.395948D+01
      6   0.301914D+01  0.190910D+01 -0.364319D+01 -0.136589D+02 -0.428336D+01
                41            42            43            44            45 
      1  -0.291512D+01 -0.226564D+01 -0.108395D+02 -0.177989D+01  0.473250D+00
      2  -0.755536D+01  0.436472D+01  0.397477D+01  0.317140D+01  0.349110D+01
      3   0.104705D+02 -0.209908D+01  0.686476D+01 -0.139151D+01 -0.396435D+01
      4   0.961447D+01  0.302093D+01 -0.657476D+00  0.492264D+01 -0.793947D+01
      5  -0.627655D+01 -0.124787D+02 -0.912524D+01 -0.116717D+02  0.788212D+01
      6   0.364201D+01  0.609792D+00 -0.126719D+02  0.853428D+00 -0.490921D+01
                46            47            48            49            50 
      1  -0.175207D+01  0.334445D+01 -0.579878D+01  0.282408D+01 -0.606163D+01
      2  -0.450833D+00 -0.965755D+00 -0.156452D+01 -0.761305D+00  0.234950D+01
      3   0.220290D+01 -0.237869D+01  0.736330D+01 -0.206277D+01  0.371213D+01
      4  -0.689491D+00  0.229773D+01 -0.239198D+00  0.374712D+01  0.235718D+01
      5   0.285348D+01 -0.772447D+00  0.306225D+01 -0.157320D+01 -0.276642D+01
      6  -0.196420D+01  0.288053D+01 -0.395359D+01  0.239787D+00 -0.892117D+01
                51            52            53            54            55 
      1   0.950033D+01 -0.415042D+01  0.918303D+01 -0.201939D+02  0.131219D+02
      2  -0.793305D-01  0.102728D+01 -0.535448D-01 -0.104709D+02 -0.741741D+01
      3  -0.942100D+01  0.312314D+01 -0.912948D+01  0.306648D+02 -0.570447D+01
      4  -0.294424D+01 -0.681806D+00 -0.340813D+01  0.362014D+01 -0.801948D+01
      5   0.362655D+01  0.543067D+01  0.305852D+01 -0.927501D+01 -0.966520D+01
      6   0.119493D+02 -0.146127D+01  0.115189D+02 -0.156445D+02  0.488017D+01
                56            57            58            59            60 
      1  -0.592906D+01 -0.316105D+01 -0.871702D+01  0.314465D+01  0.149010D+01
      2   0.450369D+01  0.395847D+01  0.582100D+01  0.674321D+00 -0.386619D+01
      3   0.142537D+01 -0.797417D+00  0.289602D+01 -0.381897D+01  0.237610D+01
      4   0.105611D+02  0.414204D+01  0.121123D+02 -0.156414D+02 -0.510603D+01
      5   0.689606D+01  0.697871D+01  0.101059D+02 -0.786040D+01 -0.867334D+01
      6  -0.522816D+01 -0.342434D+01 -0.645670D+01  0.120360D+02  0.739250D+01
                61            62            63            64            65 
      1  -0.174019D+01  0.165193D+01 -0.127646D+01  0.224914D+02  0.927802D+01
      2   0.362214D+01 -0.277091D+01 -0.385506D+01 -0.619977D+01  0.770057D+00
      3  -0.188196D+01  0.111897D+01  0.513152D+01 -0.162917D+02 -0.100481D+02
      4   0.360459D+01 -0.351644D+01 -0.360738D+01  0.150452D+02  0.135408D+02
      5   0.683392D+01 -0.560174D+01 -0.677314D+01 -0.191569D+01 -0.599864D-01
      6  -0.384320D+01  0.646121D+01  0.313430D+01 -0.159192D+01 -0.280392D+01
                66            67            68            69            70 
      1   0.398025D+01  0.103796D+02  0.512901D+01  0.311293D+01  0.803548D+01
      2  -0.169777D+00  0.877316D+00  0.576503D+01  0.173753D+01 -0.204261D+01
      3  -0.381047D+01 -0.112570D+02 -0.108940D+02 -0.485045D+01 -0.599287D+01
      4   0.350870D+01  0.149850D+02  0.140910D+02  0.226381D+01  0.619123D+01
      5   0.452479D+01 -0.928197D+00 -0.109653D+01  0.353737D+01  0.349394D+01
      6   0.499917D+00 -0.270106D+01 -0.196165D+01  0.345447D+01  0.618587D+00
                71            72            73            74            75 
      1   0.342678D+01  0.142760D+01  0.746727D+01 -0.457874D+00  0.354644D+01
      2   0.206962D+01 -0.138755D+00 -0.825326D+01  0.157196D+01 -0.873271D+01
      3  -0.549641D+01 -0.128885D+01  0.785991D+00 -0.111408D+01  0.518627D+01
      4   0.528681D+01  0.372151D+01  0.142963D+01  0.281592D+01 -0.519613D+00
      5   0.263492D+01  0.441580D+01  0.989163D+01 -0.283695D+01  0.128114D+02
      6   0.232067D+01  0.101722D+01  0.318253D+00  0.302234D+00  0.202563D+01
                76            77            78            79            80 
      1  -0.248276D+01 -0.151341D+01 -0.601884D+00  0.362199D+01 -0.163668D+01
      2   0.339428D+01 -0.973638D+00  0.708572D+01 -0.100739D+02  0.576124D+01
      3  -0.911517D+00  0.248705D+01 -0.648384D+01  0.645188D+01 -0.412456D+01
      4   0.208996D+01 -0.361155D+01  0.275352D+01  0.378126D+00  0.359141D+01
      5  -0.566236D+01  0.324936D+01 -0.678170D+01  0.143772D+02 -0.329094D+01
      6   0.599204D+00 -0.232029D+01  0.351364D+01  0.231263D+01  0.489836D+01
                81            82            83            84            85 
      1  -0.328717D+01  0.259575D+02  0.590754D+01 -0.796414D+01  0.400915D+01
      2  -0.189770D+02 -0.810869D+01  0.122111D+01  0.788265D+00  0.186106D+01
      3   0.222641D+02 -0.178488D+02 -0.712865D+01  0.717587D+01 -0.587021D+01
      4   0.315153D-01  0.172311D+02  0.104496D+02 -0.595639D+01  0.927793D+01
      5   0.211652D+02 -0.398854D+01 -0.139594D+01  0.748322D+01 -0.125622D+01
      6   0.442926D+01 -0.391596D+01 -0.195295D+01  0.435663D+01 -0.244431D+01
                86            87            88            89            90 
      1   0.819675D+00 -0.183864D+01 -0.114202D+02 -0.208575D+01  0.508755D+01
      2   0.451545D+01 -0.163175D+00  0.240339D+01 -0.160350D+01 -0.317499D+01
      3  -0.533513D+01  0.200182D+01  0.901685D+01  0.368925D+01 -0.191256D+01
      4   0.657135D+01 -0.403302D+01 -0.929580D+01 -0.692946D+01  0.466914D+01
      5  -0.185538D+01  0.567033D+00  0.735297D+01  0.152460D+01 -0.669549D+01
      6  -0.391805D+00  0.306354D+01  0.435847D+01  0.307051D+01 -0.574474D+01
                91            92            93            94            95 
      1  -0.196810D+01  0.819202D+01  0.244301D+01  0.632647D+01 -0.220627D+02
      2   0.380153D+01 -0.101649D+02 -0.207893D+01 -0.600613D+01  0.324260D+02
      3  -0.183344D+01  0.197290D+01 -0.364085D+00 -0.320334D+00 -0.103633D+02
      4  -0.375110D+01  0.408887D+01  0.239020D+00  0.561526D+01  0.430466D+01
      5  -0.306440D+01  0.172146D+01  0.206990D+01  0.223230D+01 -0.324487D+00
      6   0.224086D+01 -0.628328D+01 -0.450174D+01 -0.322258D+01  0.176673D+02
                96            97            98            99           100 
      1  -0.798741D+01  0.110097D+01 -0.715970D+01 -0.498731D+01  0.465048D+01
      2   0.714953D+01 -0.175019D+01  0.583398D+01  0.202469D+01  0.266879D+00
      3   0.837886D+00  0.649217D+00  0.132572D+01  0.296262D+01 -0.491736D+01
      4   0.115693D+01  0.446963D-01  0.950949D+00  0.301136D+00 -0.881703D+01
      5   0.538513D+00  0.294006D+01 -0.164214D+00  0.152544D+01  0.343194D+01
      6   0.108639D+02 -0.186686D+01  0.102617D+02  0.681836D+01 -0.364994D+01
               101           102           103           104           105 
      1  -0.191449D+01  0.109980D+01 -0.968446D+00 -0.550672D+01  0.174912D+01
      2  -0.294528D+01  0.248189D+01 -0.355836D+01  0.135792D+02 -0.649480D+01
      3   0.485977D+01 -0.358169D+01  0.452680D+01 -0.807244D+01  0.474568D+01
      4   0.869123D+01 -0.550223D+01  0.777723D+01 -0.888025D+01  0.692091D+01
      5  -0.310354D+01  0.674743D+01 -0.250076D+01  0.420200D+01 -0.360926D+01
      6   0.451137D+01 -0.518507D+01  0.471237D+01 -0.781048D+01  0.967348D+01
               106           107           108           109           110 
      1   0.195715D+01  0.361846D+01 -0.260115D+01 -0.258702D+01 -0.859460D+01
      2   0.256454D+01 -0.100553D+02  0.299427D+01  0.420586D+01  0.129518D+02
      3  -0.452168D+01  0.643679D+01 -0.393114D+00 -0.161884D+01 -0.435715D+01
      4  -0.847394D+01  0.100299D+02 -0.790188D+01  0.895441D+01  0.731481D+01
      5   0.714421D+01 -0.490495D+01  0.933252D+01  0.293715D+01  0.184474D+01
      6  -0.615208D+01  0.113933D+02 -0.156223D+02  0.533029D+01  0.835413D+01
               111           112           113           114           115 
      1  -0.542492D+01 -0.615667D+01 -0.158534D+02 -0.773179D+01 -0.465243D+01
      2   0.423639D+01  0.809982D+01  0.238831D+02  0.760317D+01  0.378522D+01
      3   0.118853D+01 -0.194315D+01 -0.802963D+01  0.128624D+00  0.867212D+00
      4   0.391202D+01  0.702890D+01  0.498963D+01  0.298274D+01  0.403115D+01
      5   0.364226D+01  0.130677D+01  0.155565D+01  0.201218D-01  0.418648D+01
      6   0.652916D+01  0.567212D+01  0.127229D+02  0.107472D+02  0.371970D+01
               116           117           118           119           120 
      1  -0.860137D+01 -0.705747D+01  0.185737D+02  0.323519D+00 -0.751307D+01
      2   0.824077D+01  0.403666D+01 -0.134404D+02 -0.238410D+01  0.968578D+01
      3   0.360604D+00  0.302081D+01 -0.513337D+01  0.206058D+01 -0.217270D+01
      4   0.268205D+01  0.148609D+01 -0.118584D+02  0.624521D+01  0.626428D+01
      5   0.427392D+00  0.115328D+01 -0.158047D+02  0.802247D+00  0.133315D+02
      6   0.120308D+02  0.990545D+01  0.661501D+01 -0.166536D+01 -0.667523D+01
               121           122           123           124           125 
      1   0.277639D+01  0.764648D+00 -0.137659D+01 -0.775068D+01 -0.174753D+01
      2  -0.311867D+01 -0.772934D+00  0.309228D+01  0.995390D+01  0.288334D+01
      3   0.342280D+00  0.828598D-02 -0.171569D+01 -0.220323D+01 -0.113581D+01
      4   0.347442D+01  0.827840D+00 -0.118123D+01  0.711634D+01 -0.252926D+01
      5  -0.189685D+01 -0.188718D+01  0.154700D+01  0.136810D+02 -0.128020D+01
      6  -0.758448D+00  0.770315D-01  0.292269D+01 -0.626041D+01  0.510332D+01
               126           127           128           129           130 
      1   0.196615D+01  0.494119D+01 -0.220187D+01 -0.121547D+00 -0.215076D+01
      2  -0.867152D+01  0.166684D+01 -0.702443D+01 -0.122987D+01 -0.735714D+01
      3   0.670537D+01 -0.660803D+01  0.922630D+01  0.135142D+01  0.950790D+01
      4  -0.601693D+01 -0.103778D+02  0.127108D+02 -0.394524D+00  0.130258D+02
      5  -0.130501D+02  0.479570D+01 -0.379164D+01  0.441291D+01 -0.466990D+01
      6   0.703541D+01 -0.406541D+01  0.612840D+01 -0.124936D+01  0.604220D+01
               131           132           133           134           135 
      1  -0.623652D+01  0.249326D+01 -0.104871D+01  0.551176D+00 -0.498423D+00
      2   0.231921D+02  0.124814D+01 -0.105150D+01  0.392110D+01  0.156660D+01
      3  -0.169556D+02 -0.374141D+01  0.210021D+01 -0.447228D+01 -0.106818D+01
      4  -0.179414D+02  0.460110D+00  0.223194D+01 -0.251028D+01 -0.167033D+01
      5   0.567538D+01 -0.207716D+01  0.257258D+01 -0.931662D+00 -0.113246D+01
      6  -0.132546D+02  0.617354D+01 -0.503776D+00  0.331609D+01  0.774264D+00
               136           137           138           139           140 
      1  -0.230921D+01 -0.354539D+01  0.897128D+01 -0.243591D+01 -0.370292D+01
      2  -0.422331D+01  0.325699D+00  0.538036D+01 -0.347176D+00  0.246634D+01
      3   0.653252D+01  0.321969D+01 -0.143516D+02  0.278309D+01  0.123658D+01
      4   0.636214D+01  0.433870D+01 -0.398912D+01  0.434868D+01  0.811858D+00
      5  -0.125835D+02 -0.286554D+01  0.110803D+02 -0.193532D+01 -0.204172D+01
      6  -0.517790D+01 -0.655068D+01  0.901859D+01 -0.377568D+01 -0.608025D+01
               141           142           143           144           145 
      1   0.470594D+01  0.687498D+01  0.507306D+01 -0.139870D+02  0.984627D+01
      2  -0.134828D+01  0.291754D+01 -0.494158D+00 -0.952355D+01 -0.121055D+02
      3  -0.335766D+01 -0.979252D+01 -0.457890D+01  0.235105D+02  0.225927D+01
      4  -0.227947D+01 -0.337322D+01 -0.181176D+01  0.393225D+01  0.201938D+01
      5   0.290727D+01  0.100274D+02  0.318959D+01 -0.860970D+01  0.162348D+02
      6   0.801508D+01  0.612088D+01  0.779631D+01 -0.110674D+02  0.310123D+01
               146           147           148           149           150 
      1   0.311171D+01  0.305989D+01  0.411982D+01  0.811203D+00 -0.137264D+01
      2  -0.592624D+01 -0.953227D+01 -0.697667D+01 -0.163669D+01 -0.651236D+01
      3   0.281453D+01  0.647238D+01  0.285685D+01  0.825491D+00  0.788500D+01
      4   0.521193D+01  0.662324D+00  0.479310D+01  0.406172D+01  0.222629D+01
      5   0.568590D+01  0.142130D+02  0.890780D+01  0.636003D+01  0.894137D+01
      6   0.553061D+01  0.310116D+01  0.531234D+01  0.769362D+01  0.557247D+01
               151           152           153 
      1   0.227898D+01 -0.134661D+00 -0.276350D+01
      2  -0.813044D+01 -0.428424D+01 -0.110058D+02
      3   0.585146D+01  0.441890D+01  0.137693D+02
      4   0.347551D+00  0.138709D+01  0.196418D+01
      5   0.123310D+02  0.587492D+01  0.116165D+02
      6   0.349597D+01  0.517757D+01  0.337178D+01
 Leave Link  716 at Thu Jan 27 11:53:24 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.739953D-04  0.346379D-03
      2   0.739953D-04  0.660159D+02 -0.259312D-03
      3   0.346379D-03 -0.259312D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.615534D-03  0.229365D-02 -0.246227D-03
      2  -0.262878D-02  0.169083D-03 -0.916987D-04
      3  -0.819157D-03  0.838734D-03  0.199939D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.401077D+00  0.203968D-01  0.145160D+01
      2   0.184180D+01 -0.112994D+01 -0.529484D+00
      3  -0.144073D+01  0.110954D+01 -0.922114D+00
      4   0.188588D-01  0.184194D+01  0.195452D+01
      5   0.145213D+01  0.195454D+01 -0.143879D+01
      6   0.195494D+01 -0.528523D+00  0.110697D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105782D+01  0.710120D-01  0.387925D+01  0.694609D-01  0.491265D+01
      2   0.710120D-01  0.491127D+01  0.523020D+01  0.491265D+01 -0.301864D+01
      3   0.387925D+01  0.523020D+01 -0.384760D+01  0.522114D+01 -0.142348D+01
                 6             7             8             9            10 
      1   0.522114D+01  0.387446D+01  0.522395D+01 -0.384390D+01 -0.908322D+00
      2  -0.142348D+01  0.522395D+01 -0.142280D+01  0.295159D+01 -0.872778D-01
      3   0.295264D+01 -0.384390D+01  0.295159D+01 -0.244711D+01 -0.267998D+01
                11            12            13            14            15 
      1  -0.872778D-01 -0.267998D+01  0.188528D+00 -0.472570D+01 -0.402771D+01
      2  -0.371499D+01 -0.403009D+01 -0.472570D+01  0.140862D+01  0.200058D+01
      3  -0.403009D+01  0.328571D+01 -0.402771D+01  0.200058D+01 -0.198766D+01
                16            17            18            19            20 
      1  -0.350865D+01 -0.402797D+01  0.227673D+01  0.244853D+01  0.316666D+00
      2  -0.402797D+01  0.116859D+01 -0.226839D+01  0.316666D+00 -0.396904D+01
      3   0.227673D+01 -0.226839D+01  0.344140D+01 -0.253135D+01 -0.424212D+01
                21            22            23            24            25 
      1  -0.253135D+01 -0.503081D+00 -0.310684D+01 -0.423975D+01 -0.313174D+01
      2  -0.424212D+01 -0.310684D+01  0.385073D+01  0.133268D+01 -0.424033D+01
      3   0.264741D+01 -0.423975D+01  0.133268D+01 -0.224950D+01  0.350830D+01
                26            27            28            29            30 
      1  -0.424033D+01  0.350830D+01  0.223645D+01 -0.971715D+00 -0.307124D+01
      2   0.724866D+00 -0.142591D+01 -0.971715D+00 -0.426832D+01 -0.403415D+01
      3  -0.142591D+01  0.320530D+01 -0.307124D+01 -0.403415D+01  0.285611D+01
                31            32            33            34            35 
      1   0.158979D+00 -0.363959D+01 -0.403530D+01 -0.273619D+01 -0.403491D+01
      2  -0.363959D+01  0.625921D+00  0.107339D+01 -0.403491D+01  0.141182D+01
      3  -0.403530D+01  0.107339D+01 -0.227800D+01  0.348995D+01 -0.341139D+01
                36            37            38            39            40 
      1   0.348995D+01 -0.448465D+00  0.544076D+00 -0.389617D+01 -0.428286D-01
      2  -0.341139D+01  0.544076D+00 -0.347793D+01 -0.411752D+01 -0.396566D+01
      3   0.870165D+00 -0.389617D+01 -0.411752D+01  0.329556D+01 -0.411473D+01
                41            42            43            44            45 
      1  -0.396566D+01 -0.411473D+01 -0.279787D+01 -0.411663D+01  0.280400D+01
      2   0.357869D+01  0.602797D-01 -0.411663D+01  0.116270D+01 -0.217421D+01
      3   0.602797D-01 -0.276678D+01  0.280400D+01 -0.217421D+01  0.175641D+00
                46            47            48            49            50 
      1  -0.734050D+00  0.460730D+00 -0.660130D+00  0.680194D+00  0.274848D+00
      2   0.460730D+00 -0.513074D+00  0.102650D+01  0.274848D+00  0.187826D+01
      3  -0.660130D+00  0.102650D+01 -0.222743D+01  0.362005D+00 -0.215545D+01
                51            52            53            54            55 
      1   0.362005D+00 -0.997619D+00  0.407063D+00 -0.357972D+00  0.329435D+01
      2  -0.215545D+01  0.407063D+00 -0.203638D+01  0.259633D+01 -0.187520D+01
      3   0.279618D+01 -0.357972D+00  0.259633D+01 -0.722307D+01 -0.106797D+01
                56            57            58            59            60 
      1  -0.187520D+01 -0.106797D+01 -0.326833D+01  0.287278D+01  0.180161D+01
      2   0.212730D+01  0.106994D+01  0.287278D+01 -0.451605D+01 -0.175474D+01
      3   0.106994D+01  0.844858D+00  0.180161D+01 -0.175474D+01 -0.190421D+01
                61            62            63            64            65 
      1  -0.695321D+00  0.996797D+00  0.963470D+00  0.508141D+01  0.247631D+01
      2   0.996797D+00 -0.111557D+01 -0.954768D+00  0.247631D+01  0.243212D+01
      3   0.963470D+00 -0.954768D+00 -0.175962D+01  0.854808D+00  0.728282D+00
                66            67            68            69            70 
      1   0.854808D+00  0.309044D+01  0.290849D+01  0.661218D+00  0.247626D+01
      2   0.728282D+00  0.290849D+01  0.316925D+01  0.374768D+00  0.141735D+01
      3   0.777702D+00  0.661218D+00  0.374768D+00  0.118784D+01  0.796489D+00
                71            72            73            74            75 
      1   0.141735D+01  0.796489D+00 -0.236454D+01  0.322147D+00 -0.170801D+01
      2   0.127621D+01  0.997895D+00  0.322147D+00 -0.241718D+00  0.661547D+00
      3   0.997895D+00  0.914012D+00 -0.170801D+01  0.661547D+00 -0.225591D+01
                76            77            78            79            80 
      1   0.134252D+01 -0.339840D+00  0.138850D+01 -0.216476D+01  0.584601D+00
      2  -0.339840D+00  0.832798D+00 -0.121000D+01  0.584601D+00 -0.139673D+01
      3   0.138850D+01 -0.121000D+01  0.234583D+01 -0.298743D+01  0.885075D+00
                81            82            83            84            85 
      1  -0.298743D+01 -0.623215D+01 -0.196695D+01  0.195317D+01 -0.121187D+01
      2   0.885075D+00 -0.196695D+01 -0.135064D+01  0.866379D+00 -0.111984D+01
      3  -0.653184D+01  0.195317D+01  0.866379D+00 -0.187995D+01  0.807219D+00
                86            87            88            89            90 
      1  -0.111984D+01  0.807219D+00  0.354617D+01  0.156373D+01 -0.209512D+01
      2  -0.157689D+01  0.503704D+00  0.156373D+01  0.137812D+01 -0.629714D+00
      3   0.503704D+00 -0.301106D+00 -0.209512D+01 -0.629714D+00  0.191749D+01
                91            92            93            94            95 
      1   0.106332D+01 -0.124281D+01 -0.223175D+00 -0.137771D+01  0.117255D+01
      2  -0.124281D+01  0.302054D+01  0.122036D+01  0.117255D+01 -0.758122D+01
      3  -0.223175D+00  0.122036D+01  0.783586D+00  0.555181D+00 -0.221327D+01
                96            97            98            99           100 
      1   0.555181D+00 -0.155432D+00  0.600921D+00  0.149580D-01 -0.209128D+01
      2  -0.221327D+01  0.600921D+00 -0.169252D+01 -0.141334D+01  0.146938D+01
      3  -0.155855D+01  0.149580D-01 -0.141334D+01 -0.155022D+01 -0.102243D+01
               101           102           103           104           105 
      1   0.146938D+01 -0.102243D+01  0.109846D+01 -0.105472D+01  0.108857D+01
      2  -0.108108D+01  0.115076D+01 -0.105472D+01  0.308098D+01 -0.181724D+01
      3   0.115076D+01 -0.152481D+01  0.108857D+01 -0.181724D+01  0.180574D+01
               106           107           108           109           110 
      1  -0.186158D+01  0.184789D+01 -0.194756D+01  0.210289D+01  0.178458D+01
      2   0.184789D+01 -0.338089D+01  0.259786D+01  0.178458D+01  0.362548D+01
      3  -0.194756D+01  0.259786D+01 -0.414418D+01  0.129555D+01  0.165854D+01
               111           112           113           114           115 
      1   0.129555D+01  0.140772D+01  0.180496D+01  0.996516D+00  0.124339D+01
      2   0.165854D+01  0.180496D+01  0.492860D+01  0.184261D+01  0.104043D+01
      3   0.133623D+01  0.996516D+00  0.184261D+01  0.174112D+01  0.598874D+00
               116           117           118           119           120 
      1   0.104043D+01  0.598874D+00 -0.559659D+01  0.631562D+00  0.303474D+01
      2   0.223588D+01  0.214358D+01  0.631562D+00 -0.907188D+00  0.135347D-01
      3   0.214358D+01  0.206820D+01  0.303474D+01  0.135347D-01 -0.277728D+01
               121           122           123           124           125 
      1  -0.869560D+00 -0.366048D+00  0.739154D+00  0.325599D+01 -0.623350D-01
      2  -0.366048D+00 -0.334050D+00  0.450040D+00 -0.623350D-01  0.944225D+00
      3   0.739154D+00  0.450040D+00 -0.421050D+00 -0.287592D+01  0.639867D+00
               126           127           128           129           130 
      1  -0.287592D+01  0.248242D+01 -0.222037D+01  0.498360D+00 -0.236866D+01
      2   0.639867D+00 -0.222037D+01  0.290318D+01  0.144185D+00  0.307664D+01
      3   0.335598D+01  0.498360D+00  0.144185D+00  0.483992D+00  0.784197D-01
               131           132           133           134           135 
      1   0.307664D+01  0.784197D-01 -0.439796D+00  0.837618D+00  0.201116D+00
      2  -0.682450D+01  0.402974D+00  0.837618D+00 -0.125507D+01 -0.571650D+00
      3   0.402974D+00 -0.115178D+01  0.201116D+00 -0.571650D+00 -0.446364D+00
               136           137           138           139           140 
      1  -0.319269D+01 -0.969583D+00  0.265694D+01 -0.640675D+00 -0.467218D+00
      2  -0.969583D+00 -0.118648D+01  0.153878D+01 -0.467218D+00 -0.137370D+01
      3   0.265694D+01  0.153878D+01 -0.408280D+01  0.872165D+00  0.121101D+01
               141           142           143           144           145 
      1   0.872165D+00  0.207990D+01  0.916680D+00 -0.227935D+01  0.391653D+01
      2   0.121101D+01  0.916680D+00  0.107622D+01 -0.120360D+01  0.125745D+01
      3  -0.886764D+00 -0.227935D+01 -0.120360D+01  0.495957D+01  0.268764D+01
               146           147           148           149           150 
      1   0.125745D+01  0.268764D+01  0.224640D+01  0.176253D+01  0.184578D+01
      2   0.169057D+01  0.111487D+01  0.176253D+01  0.187120D+01  0.132215D+01
      3   0.111487D+01  0.228463D+01  0.184578D+01  0.132215D+01  0.267605D+01
               151           152           153 
      1   0.201279D+01  0.104515D+01  0.173336D+01
      2   0.104515D+01  0.921315D+00  0.124079D+01
      3   0.173336D+01  0.124079D+01  0.319464D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114860D-01  0.488384D-03  0.462745D-02  0.765551D-03 -0.153472D-01
      2   0.876091D-02  0.127640D-01  0.490743D+01  0.138272D-01  0.383881D-02
      3  -0.223117D-01 -0.490456D+01 -0.469560D-02  0.490958D+01 -0.215914D-01
                 6             7             8             9            10 
      1  -0.490584D+01  0.178703D-01  0.490501D+01 -0.753419D-02  0.114234D+01
      2   0.731132D-02 -0.490462D+01 -0.725841D-02  0.541779D-02 -0.674842D+01
      3  -0.389314D-02  0.439014D-02 -0.468019D-02 -0.123189D-01 -0.904369D+00
                11            12            13            14            15 
      1   0.658044D+01  0.359279D+01  0.821302D+01 -0.182202D+01 -0.424987D+01
      2  -0.602736D+01  0.335545D+01 -0.557813D+01 -0.264090D+01 -0.762277D+01
      3   0.413579D+01  0.488456D+01  0.982233D+01 -0.310098D+01 -0.556938D+01
                16            17            18            19            20 
      1   0.414781D+01  0.806917D+00  0.698965D+00 -0.313550D+01 -0.198298D+01
      2  -0.351152D+01 -0.817141D+01  0.937360D+01  0.626395D+01  0.601327D+01
      3   0.443092D+01 -0.394417D+01  0.402301D+01 -0.408705D+01 -0.716019D+01
                21            22            23            24            25 
      1   0.717050D+01 -0.299334D+01 -0.287930D+01 -0.535735D+01  0.854738D+01
      2  -0.358848D+01  0.504724D+01 -0.415768D+01 -0.150719D+01 -0.929033D+01
      3  -0.287591D+01 -0.847015D+00  0.977399D+01  0.715211D+01 -0.190869D+01
                26            27            28            29            30 
      1   0.230464D+00  0.600650D+01  0.432531D+01  0.447708D+01 -0.696024D+01
      2  -0.288579D+01 -0.212257D+01  0.111678D+01  0.450168D+01  0.545864D+00
      3   0.614475D+01 -0.566190D+01  0.433452D+01 -0.851269D+01 -0.882634D+01
                31            32            33            34            35 
      1   0.489003D+01 -0.228433D+01  0.325206D+01 -0.834218D+01  0.951222D+01
      2   0.376106D+01  0.762288D+00  0.449105D+01 -0.401037D+01  0.587162D+01
      3  -0.170157D+01 -0.681057D+01 -0.565472D+01 -0.808683D+01 -0.523996D+01
                36            37            38            39            40 
      1  -0.202268D+01 -0.231660D+01 -0.906567D+01 -0.382255D+01 -0.100996D+02
      2  -0.186391D+01 -0.643377D+00 -0.450582D+01  0.114285D+02 -0.325311D+01
      3   0.247190D+01  0.674697D+00 -0.209303D+00  0.682390D+01  0.447729D+01
                41            42            43            44            45 
      1   0.700102D+01 -0.539321D+01 -0.437939D+01  0.118695D+01 -0.468734D+01
      2   0.603283D+01  0.465119D+01  0.506948D+01  0.520390D+01 -0.540060D+01
      3   0.146514D+00  0.406314D+01  0.557722D+01  0.303783D+01 -0.823449D+00
                46            47            48            49            50 
      1  -0.297974D+00  0.896397D+00  0.924525D-01 -0.370985D+00 -0.213945D+01
      2  -0.275537D+01  0.174125D+01 -0.237214D+01  0.268400D+01 -0.243694D+01
      3  -0.140661D+01 -0.543011D-01 -0.144610D+01  0.141251D+01 -0.198655D+01
                51            52            53            54            55 
      1  -0.643065D-01 -0.406639D+00  0.397368D+01  0.673639D+00  0.249407D+01
      2   0.433098D+01 -0.504961D+01  0.421465D+01 -0.977621D+01  0.246434D+01
      3   0.278317D+01 -0.223856D+01  0.278814D+01 -0.382090D+01  0.271091D+01
                56            57            58            59            60 
      1  -0.371871D+01 -0.751156D+00 -0.350981D+01  0.678975D+01  0.745722D-01
      2  -0.583389D+00  0.156728D+01 -0.195683D+01  0.920829D+00 -0.183394D+01
      3  -0.558233D+01 -0.189439D+01 -0.244315D+01  0.884078D+01  0.259229D+01
                61            62            63            64            65 
      1  -0.153053D+01  0.278300D+01  0.100219D+01 -0.317911D+01 -0.288360D+01
      2  -0.770354D+00  0.477340D-01 -0.155141D+01  0.616458D+01  0.406375D+01
      3  -0.139364D+01  0.264569D+01  0.150633D+01 -0.498118D+00 -0.460569D+01
                66            67            68            69            70 
      1  -0.245511D+01 -0.325855D+01 -0.308058D+01 -0.295356D+01 -0.166675D+01
      2   0.454101D+01  0.409994D+01  0.379890D+01  0.410536D+01  0.224650D+01
      3  -0.898383D+00 -0.867103D+00 -0.418278D+01 -0.517946D+00 -0.208503D+00
                71            72            73            74            75 
      1  -0.804331D+00 -0.225586D+01 -0.204714D+01  0.196971D+01 -0.323680D+01
      2   0.281746D+01  0.316805D+01 -0.735208D+00 -0.629104D+00  0.276538D+01
      3  -0.201140D+01 -0.116127D+01  0.242572D+01 -0.200860D+01  0.265497D+01
                76            77            78            79            80 
      1   0.143035D+01 -0.309572D+01  0.242876D+01 -0.361109D+01  0.534777D+01
      2   0.504923D+00  0.123618D+01 -0.205030D+01 -0.962852D+00 -0.918360D+00
      3  -0.481139D+00  0.198321D+01 -0.265606D+01  0.258149D+01 -0.375058D+01
                81            82            83            84            85 
      1  -0.738624D+01  0.390706D+01  0.117515D+01 -0.391943D+01  0.175676D+01
      2   0.600145D+01 -0.635912D+01 -0.245324D+01  0.680951D+01 -0.202133D+01
      3   0.454445D+01  0.509803D+01 -0.186179D+01 -0.143992D+01  0.137575D+01
                86            87            88            89            90 
      1   0.128980D+01 -0.174469D+01 -0.328549D+01 -0.137062D-01  0.330619D+01
      2  -0.132414D+01  0.167325D+01  0.359444D+01  0.153470D+01 -0.545851D+01
      3  -0.101910D+01 -0.454801D+00 -0.259435D+01  0.124355D+01  0.175963D+01
                91            92            93            94            95 
      1   0.854324D+00 -0.142063D+01  0.941200D+00 -0.574735D+00  0.432012D+01
      2   0.164111D+01 -0.214563D+01  0.171260D+00 -0.286459D+01  0.368752D+01
      3  -0.393944D+01  0.344641D+01  0.129820D+01  0.646398D+01 -0.946089D+01
                96            97            98            99           100 
      1  -0.268527D+01 -0.531788D+00  0.109227D+01 -0.114726D+01  0.202907D+01
      2   0.169034D+01 -0.121189D+01  0.190974D+01  0.132638D+01  0.926604D+00
      3  -0.310168D+01  0.167056D+01 -0.282151D+01 -0.140162D+01 -0.225705D+01
               101           102           103           104           105 
      1  -0.176627D+01  0.387903D+01 -0.230593D+01  0.317627D+01 -0.551853D+01
      2  -0.155628D+01  0.309132D+01 -0.783956D+00  0.202829D+01 -0.289672D+01
      3  -0.116242D+00 -0.448107D+00  0.235268D+01  0.135031D+01  0.291550D+00
               106           107           108           109           110 
      1   0.349866D+01 -0.269347D+01  0.909051D+01 -0.128383D+01 -0.663112D-01
      2   0.202634D+00 -0.266247D+01  0.552984D+01 -0.295710D+01 -0.199543D+01
      3  -0.243464D+01 -0.966456D+00 -0.837696D+00  0.624538D+01  0.362897D+01
               111           112           113           114           115 
      1  -0.245656D+01 -0.908054D+00  0.757628D-01 -0.391246D+01 -0.501897D+00
      2  -0.242531D+00 -0.255348D+01 -0.244768D+01 -0.134467D+01 -0.253571D+01
      3   0.327230D+01  0.626400D+01  0.598500D+01  0.334573D+01  0.416815D+01
               116           117           118           119           120 
      1  -0.662011D+00 -0.280326D+01 -0.448285D+01 -0.203985D+01  0.460744D+01
      2  -0.203898D+01 -0.124680D+01  0.108202D+01 -0.362018D+00  0.332276D+01
      3   0.307521D+01  0.256558D+01 -0.777821D+01 -0.274627D+01  0.482693D+01
               121           122           123           124           125 
      1  -0.102604D+01 -0.125375D+01 -0.403191D-01  0.424702D+01  0.172209D+01
      2   0.824138D-01 -0.246277D+00  0.339376D+00 -0.837283D+00 -0.405918D+00
      3  -0.496340D+00 -0.139104D+01  0.126902D+01  0.526370D+01  0.243536D+01
               126           127           128           129           130 
      1  -0.455247D+01 -0.276385D+01  0.480987D+01  0.199507D+01  0.469289D+01
      2  -0.267760D+01 -0.295837D+01  0.324481D+01  0.127867D+01  0.365834D+01
      3  -0.386270D+01 -0.149952D+01 -0.165506D+01 -0.503886D+00  0.249209D+01
               131           132           133           134           135 
      1  -0.963699D+01 -0.376689D+01  0.111561D+01 -0.119573D+01 -0.190474D+01
      2  -0.450500D+01 -0.238424D+01 -0.177544D+00 -0.134733D+01 -0.102255D+01
      3   0.301138D+01 -0.203468D+00  0.295631D+00  0.401842D+00  0.236268D+00
               136           137           138           139           140 
      1   0.732550D+00 -0.193787D+01 -0.144439D+01  0.163823D+00 -0.137932D+01
      2   0.827303D+01  0.205612D+01 -0.417185D+01  0.221514D+01  0.120733D+01
      3   0.389074D+01 -0.496895D+00 -0.278545D+01  0.176020D+01  0.672662D+00
               141           142           143           144           145 
      1  -0.182071D+00 -0.466706D+00  0.266171D+01  0.243531D+01  0.403361D+01
      2  -0.181162D+01 -0.724585D+01 -0.217715D+01  0.549437D+01 -0.478359D+01
      3  -0.134596D+01 -0.310062D+01 -0.518597D+00  0.265442D+01 -0.298665D+01
               146           147           148           149           150 
      1   0.497276D+01  0.276314D+01  0.389878D+01  0.493407D+01  0.201197D+01
      2  -0.137537D+01 -0.402428D+00 -0.305548D+01 -0.191939D+01  0.162574D+00
      3  -0.430430D+01 -0.263729D+01 -0.148435D+01 -0.379122D+01 -0.198878D+01
               151           152           153 
      1   0.314743D+01  0.415424D+01  0.355369D+01
      2  -0.361484D+01 -0.984290D+00  0.220723D+00
      3  -0.202622D+01 -0.251500D+01 -0.217974D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.534298D+01 -0.300196D+01  0.274332D+01 -0.299646D+01 -0.224927D+01
      2  -0.225608D+01  0.320190D+01 -0.128561D+01  0.320206D+01  0.254644D+01
      3  -0.308689D+01 -0.199939D+00 -0.145771D+01 -0.205597D+00 -0.297162D+00
      4  -0.301081D+01 -0.176467D+01 -0.849306D+00 -0.175423D+01  0.321978D+01
      5   0.272629D+01 -0.854414D+00 -0.260267D+01 -0.862147D+00 -0.127784D+01
      6  -0.854976D+00 -0.129720D+01 -0.203403D+00 -0.128083D+01 -0.376884D+01
                 6             7             8             9            10 
      1  -0.854062D+00  0.273797D+01 -0.842063D+00 -0.308999D+01 -0.605718D+01
      2  -0.375962D+01 -0.127870D+01 -0.375760D+01 -0.290249D+00 -0.349016D+01
      3   0.461368D+01 -0.145927D+01  0.459966D+01  0.338024D+01  0.954734D+01
      4  -0.127870D+01 -0.844653D+00 -0.129227D+01 -0.220039D+00 -0.152384D+01
      5  -0.203538D+00 -0.259283D+01 -0.207527D+00 -0.146950D+01 -0.553312D+01
      6   0.207694D+00 -0.216821D+00  0.196556D+00  0.460869D+01 -0.401547D+01
                11            12            13            14            15 
      1  -0.446855D+01 -0.176512D+01 -0.440951D+01 -0.834618D+01 -0.142531D+02
      2  -0.618852D+01  0.353099D+01 -0.540144D+01  0.500569D+01  0.173528D+01
      3   0.106571D+02 -0.176587D+01  0.981095D+01  0.334049D+01  0.125178D+02
      4  -0.128036D+02 -0.100100D+02 -0.140730D+02  0.239574D+01  0.180996D+01
      5  -0.863232D+01  0.591692D+01 -0.955418D+01  0.711723D+01  0.306310D+01
      6   0.418371D+01  0.878386D+01  0.500366D+01 -0.381540D+01 -0.736106D+01
                16            17            18            19            20 
      1  -0.279654D+01 -0.144957D+02  0.139727D+02 -0.904960D+01 -0.934283D+01
      2   0.296407D+01  0.223404D+01 -0.100632D+01  0.276027D+01  0.664117D+01
      3  -0.167532D+00  0.122616D+02 -0.129664D+02  0.628932D+01  0.270166D+01
      4  -0.111769D+02  0.442855D+00 -0.114508D+01 -0.419953D+01  0.141643D+01
      5   0.596427D+01  0.230980D+01 -0.743867D+00  0.506089D+01  0.714332D+01
      6   0.717934D+01 -0.713759D+01  0.807502D+01  0.640938D+01  0.110101D+02
                21            22            23            24            25 
      1   0.525048D+01 -0.880291D+01  0.141499D+02  0.928804D+01  0.634090D+01
      2   0.888235D+01  0.490214D+01 -0.146577D+02 -0.113080D+02  0.799756D+01
      3  -0.141328D+02  0.390077D+01  0.507804D+00  0.201994D+01 -0.143385D+02
      4   0.109381D+02  0.227195D+01  0.316649D+01  0.468523D+01  0.119897D+02
      5  -0.632295D+01  0.753091D+01  0.393099D+01  0.825666D+01 -0.759791D+01
      6   0.206942D+00  0.971758D+01 -0.768921D+01 -0.179801D+01 -0.942975D-01
                26            27            28            29            30 
      1   0.995224D+01 -0.524060D+01 -0.345298D+01  0.746791D+01  0.111238D+02
      2  -0.109232D+02  0.118060D+02  0.492258D+01 -0.956877D+01 -0.170453D+02
      3   0.970919D+00 -0.656536D+01 -0.146960D+01  0.210086D+01  0.592153D+01
      4   0.509808D+01  0.328206D+00  0.259471D+01 -0.107898D+01 -0.221854D+01
      5   0.675916D+01 -0.949801D+01  0.675279D+01  0.301125D+01 -0.106977D+02
      6  -0.118273D+01  0.798955D+00 -0.556850D+01 -0.134764D+02  0.432968D+01
                31            32            33            34            35 
      1   0.687183D+01  0.561820D+01  0.594220D+01  0.114501D+02  0.502683D+01
      2  -0.845327D+01 -0.278558D+01 -0.484980D+00 -0.168833D+02 -0.172968D+00
      3   0.158143D+01 -0.283263D+01 -0.545722D+01  0.543324D+01 -0.485387D+01
      4  -0.206551D+00 -0.103370D+02 -0.114574D+02 -0.143148D+01 -0.123942D+02
      5   0.471492D+01 -0.670415D+01  0.818664D+00 -0.110032D+02  0.227406D+01
      6  -0.123759D+02  0.217449D+01 -0.898395D+01  0.526510D+01 -0.100625D+02
                36            37            38            39            40 
      1  -0.195520D+01  0.280540D+01  0.183156D+01 -0.104692D+02  0.181301D+01
      2  -0.281604D+01  0.431048D+01  0.139806D+02  0.269432D+01  0.138226D+02
      3   0.477124D+01 -0.711588D+01 -0.158122D+02  0.777488D+01 -0.156356D+02
      4   0.844694D+01 -0.138896D+01 -0.801987D+01  0.120889D-01 -0.849737D+01
      5   0.156785D+00 -0.212926D+01 -0.279246D+01 -0.106350D+02 -0.395948D+01
      6   0.301914D+01  0.190910D+01 -0.364319D+01 -0.136589D+02 -0.428336D+01
                41            42            43            44            45 
      1  -0.291512D+01 -0.226564D+01 -0.108395D+02 -0.177989D+01  0.473250D+00
      2  -0.755536D+01  0.436472D+01  0.397477D+01  0.317140D+01  0.349110D+01
      3   0.104705D+02 -0.209908D+01  0.686476D+01 -0.139151D+01 -0.396435D+01
      4   0.961447D+01  0.302093D+01 -0.657476D+00  0.492264D+01 -0.793947D+01
      5  -0.627655D+01 -0.124787D+02 -0.912524D+01 -0.116717D+02  0.788212D+01
      6   0.364201D+01  0.609792D+00 -0.126719D+02  0.853428D+00 -0.490921D+01
                46            47            48            49            50 
      1  -0.175207D+01  0.334445D+01 -0.579878D+01  0.282408D+01 -0.606163D+01
      2  -0.450833D+00 -0.965755D+00 -0.156452D+01 -0.761305D+00  0.234950D+01
      3   0.220290D+01 -0.237869D+01  0.736330D+01 -0.206277D+01  0.371213D+01
      4  -0.689491D+00  0.229773D+01 -0.239198D+00  0.374712D+01  0.235718D+01
      5   0.285348D+01 -0.772447D+00  0.306225D+01 -0.157320D+01 -0.276642D+01
      6  -0.196420D+01  0.288053D+01 -0.395359D+01  0.239787D+00 -0.892117D+01
                51            52            53            54            55 
      1   0.950033D+01 -0.415042D+01  0.918303D+01 -0.201939D+02  0.131219D+02
      2  -0.793305D-01  0.102728D+01 -0.535448D-01 -0.104709D+02 -0.741741D+01
      3  -0.942100D+01  0.312314D+01 -0.912948D+01  0.306648D+02 -0.570447D+01
      4  -0.294424D+01 -0.681806D+00 -0.340813D+01  0.362014D+01 -0.801948D+01
      5   0.362655D+01  0.543067D+01  0.305852D+01 -0.927501D+01 -0.966520D+01
      6   0.119493D+02 -0.146127D+01  0.115189D+02 -0.156445D+02  0.488017D+01
                56            57            58            59            60 
      1  -0.592906D+01 -0.316105D+01 -0.871702D+01  0.314465D+01  0.149010D+01
      2   0.450369D+01  0.395847D+01  0.582100D+01  0.674321D+00 -0.386619D+01
      3   0.142537D+01 -0.797417D+00  0.289602D+01 -0.381897D+01  0.237610D+01
      4   0.105611D+02  0.414204D+01  0.121123D+02 -0.156414D+02 -0.510603D+01
      5   0.689606D+01  0.697871D+01  0.101059D+02 -0.786040D+01 -0.867334D+01
      6  -0.522816D+01 -0.342434D+01 -0.645670D+01  0.120360D+02  0.739250D+01
                61            62            63            64            65 
      1  -0.174019D+01  0.165193D+01 -0.127646D+01  0.224914D+02  0.927802D+01
      2   0.362214D+01 -0.277091D+01 -0.385506D+01 -0.619977D+01  0.770057D+00
      3  -0.188196D+01  0.111897D+01  0.513152D+01 -0.162917D+02 -0.100481D+02
      4   0.360459D+01 -0.351644D+01 -0.360738D+01  0.150452D+02  0.135408D+02
      5   0.683392D+01 -0.560174D+01 -0.677314D+01 -0.191569D+01 -0.599864D-01
      6  -0.384320D+01  0.646121D+01  0.313430D+01 -0.159192D+01 -0.280392D+01
                66            67            68            69            70 
      1   0.398025D+01  0.103796D+02  0.512901D+01  0.311293D+01  0.803548D+01
      2  -0.169777D+00  0.877316D+00  0.576503D+01  0.173753D+01 -0.204261D+01
      3  -0.381047D+01 -0.112570D+02 -0.108940D+02 -0.485045D+01 -0.599287D+01
      4   0.350870D+01  0.149850D+02  0.140910D+02  0.226381D+01  0.619123D+01
      5   0.452479D+01 -0.928197D+00 -0.109653D+01  0.353737D+01  0.349394D+01
      6   0.499917D+00 -0.270106D+01 -0.196165D+01  0.345447D+01  0.618587D+00
                71            72            73            74            75 
      1   0.342678D+01  0.142760D+01  0.746727D+01 -0.457874D+00  0.354644D+01
      2   0.206962D+01 -0.138755D+00 -0.825326D+01  0.157196D+01 -0.873271D+01
      3  -0.549641D+01 -0.128885D+01  0.785991D+00 -0.111408D+01  0.518627D+01
      4   0.528681D+01  0.372151D+01  0.142963D+01  0.281592D+01 -0.519613D+00
      5   0.263492D+01  0.441580D+01  0.989163D+01 -0.283695D+01  0.128114D+02
      6   0.232067D+01  0.101722D+01  0.318253D+00  0.302234D+00  0.202563D+01
                76            77            78            79            80 
      1  -0.248276D+01 -0.151341D+01 -0.601884D+00  0.362199D+01 -0.163668D+01
      2   0.339428D+01 -0.973638D+00  0.708572D+01 -0.100739D+02  0.576124D+01
      3  -0.911517D+00  0.248705D+01 -0.648384D+01  0.645188D+01 -0.412456D+01
      4   0.208996D+01 -0.361155D+01  0.275352D+01  0.378126D+00  0.359141D+01
      5  -0.566236D+01  0.324936D+01 -0.678170D+01  0.143772D+02 -0.329094D+01
      6   0.599204D+00 -0.232029D+01  0.351364D+01  0.231263D+01  0.489836D+01
                81            82            83            84            85 
      1  -0.328717D+01  0.259575D+02  0.590754D+01 -0.796414D+01  0.400915D+01
      2  -0.189770D+02 -0.810869D+01  0.122111D+01  0.788265D+00  0.186106D+01
      3   0.222641D+02 -0.178488D+02 -0.712865D+01  0.717587D+01 -0.587021D+01
      4   0.315153D-01  0.172311D+02  0.104496D+02 -0.595639D+01  0.927793D+01
      5   0.211652D+02 -0.398854D+01 -0.139594D+01  0.748322D+01 -0.125622D+01
      6   0.442926D+01 -0.391596D+01 -0.195295D+01  0.435663D+01 -0.244431D+01
                86            87            88            89            90 
      1   0.819675D+00 -0.183864D+01 -0.114202D+02 -0.208575D+01  0.508755D+01
      2   0.451545D+01 -0.163175D+00  0.240339D+01 -0.160350D+01 -0.317499D+01
      3  -0.533513D+01  0.200182D+01  0.901685D+01  0.368925D+01 -0.191256D+01
      4   0.657135D+01 -0.403302D+01 -0.929580D+01 -0.692946D+01  0.466914D+01
      5  -0.185538D+01  0.567033D+00  0.735297D+01  0.152460D+01 -0.669549D+01
      6  -0.391805D+00  0.306354D+01  0.435847D+01  0.307051D+01 -0.574474D+01
                91            92            93            94            95 
      1  -0.196810D+01  0.819202D+01  0.244301D+01  0.632647D+01 -0.220627D+02
      2   0.380153D+01 -0.101649D+02 -0.207893D+01 -0.600613D+01  0.324260D+02
      3  -0.183344D+01  0.197290D+01 -0.364085D+00 -0.320334D+00 -0.103633D+02
      4  -0.375110D+01  0.408887D+01  0.239020D+00  0.561526D+01  0.430466D+01
      5  -0.306440D+01  0.172146D+01  0.206990D+01  0.223230D+01 -0.324487D+00
      6   0.224086D+01 -0.628328D+01 -0.450174D+01 -0.322258D+01  0.176673D+02
                96            97            98            99           100 
      1  -0.798741D+01  0.110097D+01 -0.715970D+01 -0.498731D+01  0.465048D+01
      2   0.714953D+01 -0.175019D+01  0.583398D+01  0.202469D+01  0.266879D+00
      3   0.837886D+00  0.649217D+00  0.132572D+01  0.296262D+01 -0.491736D+01
      4   0.115693D+01  0.446963D-01  0.950949D+00  0.301136D+00 -0.881703D+01
      5   0.538513D+00  0.294006D+01 -0.164214D+00  0.152544D+01  0.343194D+01
      6   0.108639D+02 -0.186686D+01  0.102617D+02  0.681836D+01 -0.364994D+01
               101           102           103           104           105 
      1  -0.191449D+01  0.109980D+01 -0.968446D+00 -0.550672D+01  0.174912D+01
      2  -0.294528D+01  0.248189D+01 -0.355836D+01  0.135792D+02 -0.649480D+01
      3   0.485977D+01 -0.358169D+01  0.452680D+01 -0.807244D+01  0.474568D+01
      4   0.869123D+01 -0.550223D+01  0.777723D+01 -0.888025D+01  0.692091D+01
      5  -0.310354D+01  0.674743D+01 -0.250076D+01  0.420200D+01 -0.360926D+01
      6   0.451137D+01 -0.518507D+01  0.471237D+01 -0.781048D+01  0.967348D+01
               106           107           108           109           110 
      1   0.195715D+01  0.361846D+01 -0.260115D+01 -0.258702D+01 -0.859460D+01
      2   0.256454D+01 -0.100553D+02  0.299427D+01  0.420586D+01  0.129518D+02
      3  -0.452168D+01  0.643679D+01 -0.393114D+00 -0.161884D+01 -0.435715D+01
      4  -0.847394D+01  0.100299D+02 -0.790188D+01  0.895441D+01  0.731481D+01
      5   0.714421D+01 -0.490495D+01  0.933252D+01  0.293715D+01  0.184474D+01
      6  -0.615208D+01  0.113933D+02 -0.156223D+02  0.533029D+01  0.835413D+01
               111           112           113           114           115 
      1  -0.542492D+01 -0.615667D+01 -0.158534D+02 -0.773179D+01 -0.465243D+01
      2   0.423639D+01  0.809982D+01  0.238831D+02  0.760317D+01  0.378522D+01
      3   0.118853D+01 -0.194315D+01 -0.802963D+01  0.128624D+00  0.867212D+00
      4   0.391202D+01  0.702890D+01  0.498963D+01  0.298274D+01  0.403115D+01
      5   0.364226D+01  0.130677D+01  0.155565D+01  0.201218D-01  0.418648D+01
      6   0.652916D+01  0.567212D+01  0.127229D+02  0.107472D+02  0.371970D+01
               116           117           118           119           120 
      1  -0.860137D+01 -0.705747D+01  0.185737D+02  0.323519D+00 -0.751307D+01
      2   0.824077D+01  0.403666D+01 -0.134404D+02 -0.238410D+01  0.968578D+01
      3   0.360604D+00  0.302081D+01 -0.513337D+01  0.206058D+01 -0.217270D+01
      4   0.268205D+01  0.148609D+01 -0.118584D+02  0.624521D+01  0.626428D+01
      5   0.427392D+00  0.115328D+01 -0.158047D+02  0.802247D+00  0.133315D+02
      6   0.120308D+02  0.990545D+01  0.661501D+01 -0.166536D+01 -0.667523D+01
               121           122           123           124           125 
      1   0.277639D+01  0.764648D+00 -0.137659D+01 -0.775068D+01 -0.174753D+01
      2  -0.311867D+01 -0.772934D+00  0.309228D+01  0.995390D+01  0.288334D+01
      3   0.342280D+00  0.828598D-02 -0.171569D+01 -0.220323D+01 -0.113581D+01
      4   0.347442D+01  0.827840D+00 -0.118123D+01  0.711634D+01 -0.252926D+01
      5  -0.189685D+01 -0.188718D+01  0.154700D+01  0.136810D+02 -0.128020D+01
      6  -0.758448D+00  0.770315D-01  0.292269D+01 -0.626041D+01  0.510332D+01
               126           127           128           129           130 
      1   0.196615D+01  0.494119D+01 -0.220187D+01 -0.121547D+00 -0.215076D+01
      2  -0.867152D+01  0.166684D+01 -0.702443D+01 -0.122987D+01 -0.735714D+01
      3   0.670537D+01 -0.660803D+01  0.922630D+01  0.135142D+01  0.950790D+01
      4  -0.601693D+01 -0.103778D+02  0.127108D+02 -0.394524D+00  0.130258D+02
      5  -0.130501D+02  0.479570D+01 -0.379164D+01  0.441291D+01 -0.466990D+01
      6   0.703541D+01 -0.406541D+01  0.612840D+01 -0.124936D+01  0.604220D+01
               131           132           133           134           135 
      1  -0.623652D+01  0.249326D+01 -0.104871D+01  0.551176D+00 -0.498423D+00
      2   0.231921D+02  0.124814D+01 -0.105150D+01  0.392110D+01  0.156660D+01
      3  -0.169556D+02 -0.374141D+01  0.210021D+01 -0.447228D+01 -0.106818D+01
      4  -0.179414D+02  0.460110D+00  0.223194D+01 -0.251028D+01 -0.167033D+01
      5   0.567538D+01 -0.207716D+01  0.257258D+01 -0.931662D+00 -0.113246D+01
      6  -0.132546D+02  0.617354D+01 -0.503776D+00  0.331609D+01  0.774264D+00
               136           137           138           139           140 
      1  -0.230921D+01 -0.354539D+01  0.897128D+01 -0.243591D+01 -0.370292D+01
      2  -0.422331D+01  0.325699D+00  0.538036D+01 -0.347176D+00  0.246634D+01
      3   0.653252D+01  0.321969D+01 -0.143516D+02  0.278309D+01  0.123658D+01
      4   0.636214D+01  0.433870D+01 -0.398912D+01  0.434868D+01  0.811858D+00
      5  -0.125835D+02 -0.286554D+01  0.110803D+02 -0.193532D+01 -0.204172D+01
      6  -0.517790D+01 -0.655068D+01  0.901859D+01 -0.377568D+01 -0.608025D+01
               141           142           143           144           145 
      1   0.470594D+01  0.687498D+01  0.507306D+01 -0.139870D+02  0.984627D+01
      2  -0.134828D+01  0.291754D+01 -0.494158D+00 -0.952355D+01 -0.121055D+02
      3  -0.335766D+01 -0.979252D+01 -0.457890D+01  0.235105D+02  0.225927D+01
      4  -0.227947D+01 -0.337322D+01 -0.181176D+01  0.393225D+01  0.201938D+01
      5   0.290727D+01  0.100274D+02  0.318959D+01 -0.860970D+01  0.162348D+02
      6   0.801508D+01  0.612088D+01  0.779631D+01 -0.110674D+02  0.310123D+01
               146           147           148           149           150 
      1   0.311171D+01  0.305989D+01  0.411982D+01  0.811203D+00 -0.137264D+01
      2  -0.592624D+01 -0.953227D+01 -0.697667D+01 -0.163669D+01 -0.651236D+01
      3   0.281453D+01  0.647238D+01  0.285685D+01  0.825491D+00  0.788500D+01
      4   0.521193D+01  0.662324D+00  0.479310D+01  0.406172D+01  0.222629D+01
      5   0.568590D+01  0.142130D+02  0.890780D+01  0.636003D+01  0.894137D+01
      6   0.553061D+01  0.310116D+01  0.531234D+01  0.769362D+01  0.557247D+01
               151           152           153 
      1   0.227898D+01 -0.134661D+00 -0.276350D+01
      2  -0.813044D+01 -0.428424D+01 -0.110058D+02
      3   0.585146D+01  0.441890D+01  0.137693D+02
      4   0.347551D+00  0.138709D+01  0.196418D+01
      5   0.123310D+02  0.587492D+01  0.116165D+02
      6   0.349597D+01  0.517757D+01  0.337178D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.660162D+02      0.978259D+01      0.108846D+02
   aniso      0.933510D-03      0.138332D-03      0.153915D-03
   xx         0.660165D+02      0.978263D+01      0.108846D+02
   yx         0.739953D-04      0.109650D-04      0.122002D-04
   yy         0.660159D+02      0.978254D+01      0.108845D+02
   zx         0.346379D-03      0.513280D-04      0.571101D-04
   zy        -0.259312D-03     -0.384261D-04     -0.427548D-04
   zz         0.660163D+02      0.978261D+01      0.108846D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199261         -1.77261308          2.27711126
     6         -2.54545343          1.37771083          0.13617662
     6          0.13192766         -1.54554815         -2.44740819
     6          2.15152903          1.94045130          0.03412957
     1         -1.25041331         -3.17768906          2.29985278
     1          0.17452136         -0.71848907          4.05005428
     1          2.06294515         -2.78069276          2.22733020
     1         -4.11526103          0.03703409          0.11598668
     1         -2.78261759          2.65548458         -1.46793627
     1         -2.69011413          2.49703042          1.86485571
     1         -1.38323253         -2.94587509         -2.52154327
     1          1.93017182         -2.54907301         -2.59353799
     1         -0.04999619         -0.32654094         -4.10361464
     1          2.10266953          3.07012062          1.76144205
     1          2.01060408          3.23088347         -1.57120847
     1          3.99110566          1.00827621         -0.06164616

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.660162D+02      0.978259D+01      0.108846D+02
   aniso      0.933510D-03      0.138332D-03      0.153915D-03
   xx         0.660166D+02      0.978266D+01      0.108847D+02
   yx         0.193405D-03      0.286596D-04      0.318881D-04
   yy         0.660161D+02      0.978258D+01      0.108846D+02
   zx         0.286767D-03      0.424945D-04      0.472815D-04
   zy        -0.154221D-03     -0.228532D-04     -0.254276D-04
   zz         0.660159D+02      0.978254D+01      0.108845D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-13\Freq\RB3LYP\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P B3L
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 88\\\@


 FORGIVE MY NONSENSE AS I ALSO FORGIVE THOSE WHO THINK THEY TALK SENSE

                                                       -- ROBERT FROST
 Job cpu time:       0 days  0 hours 38 minutes  5.0 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 46.2 seconds.
 File lengths (MBytes):  RWF=    100 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:53:25 2022.
